Prof. Dr. Rossitza Pentcheva

Publikationen

    Artikel in Zeitschriften

  • Shomali, Elaheh; Gruner, Markus; Pentcheva, Rossitza
    Concerted Mechanism of Carrier Dynamics in Laser-Excited Fen/(MgO)m(001) Heterostructures from Real-Time Time-Dependent DFT
    In: Advanced Theory and Simulations Jg. 7 (2024) Nr. 1, 2300319
    Online Volltext: dx.doi.org/ (Open Access)
  • Rafiezadeh, Shohreh; Begum-Hudde, Vijaya; Pentcheva, Rossitza
    Electronic and optical properties of the fully and partially inverse CoFe2 O4 spinel from first principles calculations including many-body effects
    In: Physical Review B Jg. 109 (2024) Nr. 19, 195172
    Online Volltext: dx.doi.org/ (Open Access)
  • Verma, Manish; Pentcheva, Rossitza
    Tuning the carrier localization, magnetic and thermoelectric properties of ultrathin (LaNiO 3−δ )1/(LaAlO 3 )1 (001) superlattices by oxygen vacancies
    In: Physical Review Research Jg. 6 (2024) 013189
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Füngerlings, Achim; Wohlgemuth, Marcus; Antipin, Denis; van der Minne, Emma; Kiens, Ellen Marijn; Villalobos, Javier; Risch, Marcel; Gunkel, Felix; Pentcheva, Rossitza; Baeumer, Christoph
    Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate
    In: Nature Communications Jg. 14 (2023) Nr. 1, 8284
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Liu, Zhibin; Amin, Hatem M. A.; Peng, Yuman; Corva, Manuel; Pentcheva, Rossitza; Tschulik, Kristina
    Facet-Dependent Intrinsic Activity of Single Co3O4 Nanoparticles for Oxygen Evolution Reaction
    In: Advanced Functional Materials Jg. 33 (2023) Nr. 1, 2210945
    Online Volltext: dx.doi.org/ (Open Access)
  • Köksal, Okan; Li, L.L.; Pentcheva, Rossitza
    High Chern numbers in a perovskite-derived dice lattice (LaXO₃)₃/(LaAlO₃)₃(111) with X = Ti, Mn and Co
    In: Scientific Reports Jg. 13 (2023) Nr. 1, 10615
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Begum-Hudde, Vijaya; Lojewski, Tobias; Rothenbach, Nico; Eggert, Benedikt; Eschenlohr, Andrea; Ollefs, Katharina; Gruner, Markus; Pentcheva, Rossitza
    Nature of excitons in the Ti L and O K edges of x-ray absorption spectra in bulk SrTiO3 from a combined first principles and many-body theory approach
    In: Physical Review Research Jg. 5 (2023) Nr. 1, 013199
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Sahinovic, Armin; Geisler, Benjamin; Pentcheva, Rossitza
    Nature of the magnetic coupling in infinite-layer nickelates versus cuprates
    In: Physical Review Materials Jg. 7 (2023) Nr. 11, 114803
    Online Volltext: dx.doi.org/ (Open Access)
  • Goodge, Berit H.; Geisler, Benjamin; Lee, Kyuho; Osada, Motoki; Wang, Bai Yang; Li, Danfeng; Hwang, Harold Y.; Pentcheva, Rossitza; Kourkoutis, Lena F.
    Resolving the polar interface of infinite-layer nickelate thin films
    In: Nature Materials (2023) Nr. 22, S. 4
    Online Volltext: dx.doi.org/ (Open Access)
  • Heckschen, Markus; Beyazit, Yasin; Shomali, Elaheh; Kühne, Florian; Jayabalan, Jesumony; Zhou, Ping; Diesing, Detlef; Gruner, Markus; Pentcheva, Rossitza; Lorke, Axel; Sothmann, Björn; Bovensiepen, Uwe
    Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in Nonequilibrium: Revealing Single Scattering Events and the Ballistic Limit
    In: PRX Energy Jg. 2 (2023) Nr. 4, 043009
    Online Volltext: dx.doi.org/ (Open Access)
  • Shomali, Elaheh; Gruner, Markus; Pentcheva, Rossitza
    Anisotropic carrier dynamics in a laser-excited Fe1/(MgO)3(001) heterostructure from real-time time-dependent density functional theory
    In: Physical Review B Jg. 105 (2022) Nr. 24, 245103
    Online Volltext: dx.doi.org/ (Open Access)
  • Bisht, R.S.; Mograbi, M.; Rout, P.K.; Tuvia, G.; Dagan, Y.; Yoon, Hyeok; Swartz, A.G.; Hwang, H.Y.; Li, L.L.; Pentcheva, Rossitza
    Concomitant appearance of conductivity and superconductivity in (111) LaAlO₃/SrTiO₃ interface with metal capping
    In: Physical Review Materials Jg. 6 (2022) Nr. 4, 044802
    Online Volltext: dx.doi.org/ (Open Access)
  • Radhakrishnan, Padma; Geisler, Benjamin; Fürsich, Katrin; Putzky, Daniel; Wang, Y.; Christiani, Georg; Logvenov, Gennadii Yu; Wochner, Peter; van Aken, Peter A.; Pentcheva, Rossitza; Benckiser, Eva
    Coupling of electronic and structural degrees of freedom in vanadate superlattices
    In: Physical Review B Jg. 105 (2022) Nr. 16, 165117
    Online Volltext: dx.doi.org/ (Open Access)
  • Verma, Manish; Pentcheva, Rossitza
    Metal-insulator transition and robust thermoelectricity via strain-tuned interplay between structural and electronic properties in (SrVO3)1/(SrTiO3)1(001) superlattices
    In: Physical Review Research Jg. 4 (2022) Nr. 3, 033013
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Di Capua, R.; Verma, M.; Radovic, M.; Strocov, V.N.; Piamonteze, C.; Guedes, E.B.; Plumb, N.C.; Chen, Yu; D’Antuono, M.; De Luca, G.M.; Di Gennaro, E.; Stornaiuolo, D.; Preziosi, D.; Jouault, B.; Miletto Granozio, F.; Sambri, A.; Pentcheva, R.; Ghiringhelli, G.; Salluzzo, M.; D'Antuono, M.
    Orbital selective switching of ferromagnetism in an oxide quasi two-dimensional electron gas
    In: npj Quantum Materials Jg. 7 (2022) Nr. 1, 41
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Follmann, Simon; Pentcheva, Rossitza
    Oxygen vacancy formation and electronic reconstruction in strained LaNiO3 and LaNiO3/LaAlO3 superlattices
    In: Physical Review B Jg. 106 (2022) Nr. 15, 155139
    Online Volltext: dx.doi.org/ (Open Access)
  • Heider, Tristan; Gerber, Timm; Köksal, Okan; Eschbach, Markus; Młyńczak, Ewa; Lömker, Patrick; Gospodaric, Pika; Gehlmann, Mathias; Plötzing, Moritz; Pentcheva, Rossitza; Plucinski, Lukasz; Schneider, Claus M.; Müller, Martina
    Temperature-dependent spin-resolved electronic structure of EuO thin films
    In: Physical Review B Jg. 106 (2022) Nr. 5, 054424
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Yordanov, Petar; Gruner, Markus; Keimer, Bernhard; Pentcheva, Rossitza
    Tuning the Thermoelectric Properties of Transition Metal Oxide Thin Films and Superlattices on the Quantum Scale
    In: Physica Status Solidi (B): Basic Solid State Physics Jg. 259 (2022) Nr. 5, Special issue: From Electronic Correlations to Functionality, 2100270
    Online Volltext: dx.doi.org/ (Open Access)
  • Esser, Sven; Wu, Jiongyao; Esser, Sebastian; Gruhl, Robert; Jesche, Anton; Roddatis, Vladimir; Moshnyaga, Vasily; Pentcheva, Rossitza; Gegenwart, Philipp
    Angular dependence of Hall effect and magnetoresistance in SrRuO3- SrIrO3 heterostructures
    In: Physical Review B Jg. 103 (2021) Nr. 21, 214430
    Online Volltext: dx.doi.org/ (Open Access)
  • Köksal, Okan; Pentcheva, Rossitza
    Chern insulating phases and thermoelectric properties of EuO/MgO(001) superlattices
    In: Physical Review B Jg. 103 (2021) Nr. 4, S. 045135
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Pentcheva, Rossitza
    Correlated interface electron gas in infinite-layer nickelate versus cuprate films on SrTiO3(001)
    In: Physical Review Research Jg. 3 (2021) Nr. 1, 013261
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Rothenbach, Nico; Gruner, Markus; Ollefs, Katharina; Schmitz-Antoniak, Carolin; Salamon, Soma; Zhou, Ping; Li, Renkai; Mo, Mianzhen; Park, Suji; Shen, Xiaohong; Weathersby, Stephen P.; Yang, Jun; Wang, Xijie; Šipr, Ondrej; Ebert, Hubert; Sokolowski-Tinten, Klaus; Pentcheva, Rossitza; Bovensiepen, Uwe; Eschenlohr, Andrea; Wende, Heiko
    Effect of lattice excitations on transient near-edge x-ray absorption spectroscopy
    In: Physical Review B Jg. 104 (2021) Nr. 14, 144302
    Online Volltext: dx.doi.org/ (Open Access)
  • Wu, Jiongyao; Zöllner, Marcel; Esser, Sebastian; Begum, Vijaya; Prinz, Günther; Lorke, Axel; Gegenwart, Philipp; Pentcheva, Rossitza
    Electronic reconstruction and charge transfer in strained Sr2CoIrO6 double perovskite
    In: Physical Review B Jg. 104 (2021) Nr. 20, 205126
    Online Volltext: dx.doi.org/ (Open Access)
  • Peng, Yuman; Hajiyani, Hamidreza; Pentcheva, Rossitza
    Influence of fe and ni doping on the oer performance at the co3o4(001) surface : Insights from DFT+u calculations
    In: ACS Catalysis Jg. 11 (2021) Nr. 9, S. 5601 - 5613
    Online Volltext: dx.doi.org/
  • Falk, Tobias; Anke, Sven; Hajiyani, Hamidreza; Saddeler, Sascha; Schulz, Stephan; Pentcheva, Rossitza; Peng, Baoxiang; Muhler, Martin
    Influence of the particle size on selective 2-propanol gas-phase oxidation over Co3O4 nanospheres
    In: Catalysis Science and Technology Jg. 11 (2021) Nr. 23, S. 7552 - 7562
    Online Volltext: dx.doi.org/
  • Radhakrishnan, Padma; Geisler, Benjamin; Fürsich, Katrin; Putzky, Daniel; Wang, Y.; Ilse, Sven Erik; Christiani, Georg; Logvenov, Gennadii Yu; Wochner, Peter; van Aken, Peter A.; Goering, Eberhard J.; Pentcheva, Rossitza; Benckiser, Eva
    Orbital engineering in YVO3-LaAl O3 superlattices
    In: Physical Review B Jg. 104 (2021) Nr. 12, L121102
    Online Volltext: dx.doi.org/ (Open Access)
  • Pentcheva, Rossitza; Hajiyani, Hamidreza
    Supercomputing for energy conversion and catalysis applications : Modelling and understanding the catalytic activity of transition metal oxide surfaces using high-performance computer simulations
    In: Unikate: Berichte aus Forschung und Lehre (2021) Nr. 57: Katalyse : Alles andere als oberflächlich, S. 103 - 110
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Liu, Yun; Peng, Yuman; Naschitzki, Mathias; Gewinner, Sandy; Schöllkopf, Wieland; Kuhlenbeck, Helmut; Pentcheva, Rossitza; Roldan Cuenya, Beatriz
    Surface oxygen Vacancies on Reduced Co3O4(100): Superoxide Formation and Ultra-Low-Temperature CO Oxidation
    In: Angewandte Chemie International Edition Jg. 60 (2021) Nr. 30, S. 16514 - 16520
    Online Volltext: dx.doi.org/ (Open Access)
  • Füngerlings, Achim; Koul, Adarsh; Dreyer, Maik; Rabe, Anna; Morales, Dulce M.; Schuhmann, Wolfgang; Behrens, Malte; Pentcheva, Rossitza
    Synergistic Effects of Co and Fe on the Oxygen Evolution Reaction Activity of LaCoₓFe₁−ₓO₃
    In: Chemistry - A European Journal Jg. 27 (2021) Nr. 68, S. 17145 - 17158
    Online Volltext: dx.doi.org/ (Open Access)
  • Begum, Vijaya; Gruner, Markus; Vorwerk, Christian; Draxl, Claudia; Pentcheva, Rossitza
    Theoretical description of optical and X-ray absorption spectra of MgO including many-body effects
    In: Physical Review B Jg. 103 (2021) Nr. 19, 195128
    Online Volltext: dx.doi.org/ (Open Access)
  • Di Capua, Roberto; Verma, Manish; Radović, Milan; Plumb, Nicholas C.; Dil, Jan Hugo; Ristić, Zoran; Guedes, Eduardo Bonini; De Luca, Giovanna M.; Preziosi, Daniele; Wang, Zhiming; Weber, Andrew P.; Pentcheva, Rossitza; Salluzzo, Marco
    Two-dimensional electron gas at the (001) surface of ferromagnetic EuTiO3
    In: Physical Review Research Jg. 3 (2021) Nr. 4, L042038
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Pentcheva, Rossitza
    Competition of defect ordering and site disproportionation in strained LaCoO₃ on SrTiO₃(001)
    In: Physical Review B Jg. 101 (2020) Nr. 16, S. 165108
    Online Volltext: dx.doi.org/ (Open Access)
  • Hong, Seung Sae; Gu, Mingqiang; Verma, Manish; Harbola, Varun; Wang, Bai Yang; Lu, Di; Vailionis, Arturas; Hikita, Yasuyuki; Pentcheva, Rossitza; Rondinelli, James M.; Hwang, Harold Y.
    Extreme tensile strain states in La₀.₇Ca₀.₃MnO₃ membranes
    In: Science Jg. 368 (2020) Nr. 6486, S. 71 - 76
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Pentcheva, Rossitza
    Fundamental difference in the electronic reconstruction of infinite-layer versus perovskite neodymium nickelate films on SrTiO₃ (001)
    In: Physical Review B Jg. 102 (2020) Nr. 2, 020502
    Online Volltext: dx.doi.org/ (Open Access)
  • Kampmann, Jonathan; Betzler, Sophia; Hajiyani, Hamidreza; Häringer, Sebastian; Beetz, Michael; Harzer, Tristan; Kraus, Jürgen; Lotsch, Bettina V.; Scheu, Christina; Pentcheva, Rossitza; Fattakhova-Rohlfing, Dina; Bein, Thomas
    How photocorrosion can trick you : A detailed study on low-bandgap Li doped CuO photocathodes for solar hydrogen production
    In: Nanoscale Jg. 12 (2020) Nr. 14, S. 7766 - 7775
    Online Volltext: dx.doi.org/
  • Hajiyani, Hamidreza; Pentcheva, Rossitza
    Influence of 3d, 4d, and 5d dopants on the oxygen evolution reaction at α-Fe₂O₃(0001) under dark and illumination conditions
    In: The Journal of Chemical Physics (JCP) Jg. 152 (2020) Nr. 12, S. 124709
    Online Volltext: dx.doi.org/
  • Eggert, Benedikt; Gruner, Markus; Ollefs, Katharina; Schuster, Ellen; Rothenbach, Nico; Hu, Michael Y.; Zhao, Jiyong; Toellner, Thomas S.; Sturhahn, Wolfgang; Pentcheva, Rossitzza; Cuenya, Beatriz Roldan; Alp, Esen E.; Wende, Heiko; Keune, Werner
    Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations
    In: Physical Review Materials Jg. 4 (2020) Nr. 4, 044402
    Online Volltext: dx.doi.org/ (Open Access)
  • Li, Longlong; Bacaksiz, Cihan; Nakhaee, Mohammad; Pentcheva, Rossitza; Peeters, François Maria; Yagmurcukardes, Mehmet
    Single-layer Janus black arsenic-phosphorus (b-AsP) : Optical dichroism, anisotropic vibrational, thermal, and elastic properties
    In: Physical Review B Jg. 101 (2020) Nr. 13, S. 134102
    Online Volltext: dx.doi.org/ (Open Access)
  • Zhang, Siyuan; Hajiyani, Hamidreza; Hufnagel, Alexander G.; Kampmann, Jonathan; Breitbach, Benjamin; Bein, Thomas; Fattakhova-Rohlfing, Dina; Pentcheva, Rossitza; Scheu, Christina
    Sn-Doped Hematite for Photoelectrochemical Water Splitting : The Effect of Sn Concentration
    In: Zeitschrift für Physikalische Chemie Jg. 234 (2020) Nr. 4, S. 683 - 698
    Online Volltext: dx.doi.org/ (Open Access)
  • Köksal, Okan; Pentcheva, Rossitza
    Chern and Z2 topological insulating phases in perovskite-derived 4d and 5d oxide buckled honeycomb lattices
    In: Scientific Reports Jg. 9 (2019) S. 17306
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Gruner, Markus; Pentcheva, Rossitza
    Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory
    In: Physical Review B Jg. 99 (2019) Nr. 19, S. 195104
    Online Volltext: dx.doi.org/ (Open Access)
  • Verma, Manish; Geisler, Benjamin; Pentcheva, Rossitza
    Effect of confinement and octahedral rotations on the electronic, magnetic, and thermoelectric properties of correlated SrX O3/SrTiO3(001) superlattices (X= V, Cr, or Mn)
    In: Physical Review B Jg. 100 (2019) Nr. 16, 165126
    Online Volltext: dx.doi.org/
  • Arab, Arian; Liu, Xiaoran; Köksal, Okan; Yang, Weibing; Chandrasena, Ravini U.; Middey, Srimanta; Kareev, Mikhail; Kumar, Siddharth; Husanu, Marius-Adrian; Yang, Zhenzhong; Gu, Lin; Strocov, Vladimir N.; Lee, Tien-Lin; Minár, Jan; Pentcheva, Rossitza; Chakhalian, Jak; Gray, Alexander X.
    Electronic Structure of a Graphene-like Artificial Crystal of NdNiO₃
    In: Nano Letters Jg. 19 (2019) Nr. 11, S. 8311 - 8317
    Online Volltext: dx.doi.org/
  • Geisler, Benjamin; Pentcheva, Rossitza
    Inducing n - And p -Type Thermoelectricity in Oxide Superlattices by Strain Tuning of Orbital-Selective Transport Resonances
    In: Physical Review Applied Jg. 11 (2019) Nr. 4, S. 044047
    Online Volltext: dx.doi.org/ (Open Access)
  • Köksal, Okan; Pentcheva, Rossitza
    Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based 4d and 5d oxide honeycomb lattices
    In: Journal of Physics and Chemistry of Solids Jg. 128 (2019) S. 301 - 309
    Online Volltext: dx.doi.org/ (Open Access)
  • Yordanov, Petar; Sigle, W.; Kaya, P.; Gruner, Markus; Pentcheva, Rossitza; Keimer, B.; Habermeier, H.-U.
    Large thermopower anisotropy in PdCoO2 thin films
    In: Physical Review Materials Jg. 3 (2019) Nr. 8, 085403
    Online Volltext: dx.doi.org/
  • Rothenbach, Nico; Gruner, Markus; Ollefs, Katharina; Schmitz-Antoniak, Carolin; Salamon, Soma; Zhou, Ping; Li, R.; Mo, Mianzhen; Park, S.; Shen, Xiaozhe; Weathersby, Stephen P.; Yang, Jie; Wang, Xijie; Pentcheva, Rossitza; Wende, Heiko; Bovensiepen, Uwe; Sokolowski-Tinten, Klaus; Eschenlohr, Andrea
    Microscopic nonequilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure
    In: Physical Review B Jg. 100 (2019) Nr. 17, 174301
    Online Volltext: dx.doi.org/ (Open Access)
  • Begum, Vijaya; Gruner, Markus; Pentcheva, Rossitza
    Role of the exchange-correlation functional on the structural, electronic, and optical properties of cubic and tetragonal SrTiO3 including many-body effects
    In: Physical Review Materials Jg. 3 (2019) Nr. 6, S. 065004
    Online Volltext: dx.doi.org/ (Open Access)
  • Anke, Sven; Bendt, Georg; Sinev, Ilya; Hajiyani, Hamidreza; Antoni, Hendrik; Zegkinoglou, Ioannis; Jeon, Hyosang; Pentcheva, Rossitza; Roldan Cuenya, Beatriz; Schulz, Stephan; Muhler, Martin
    Selective 2-Propanol Oxidation over Unsupported Co₃O₄ Spinel Nanoparticles : Mechanistic Insights into Aerobic Oxidation of Alcohols
    In: ACS Catalysis Jg. 9 (2019) Nr. 7, S. 5974 - 5985
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Veit, Michael J.; Chan, M.K.; Ramshaw, Brad J.; Arras, Rémi; Pentcheva, Rossitza; Suzuki, Y.
    Three-dimensional character of the Fermi surface in ultrathin LaTiO₃/SrTiO₃ heterostructures
    In: Physical Review B Jg. 99 (2019) Nr. 11, 115126
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Belviso, Florian; Claerbout, Victor E. P.; Comas-Vives, Aleix; Dalal, Naresh S.; Fan, Feng-Ren; Filippetti, Alessio; Fiorentini, Vincenzo; Foppa, Lucas; Franchini, Cesare; Geisler, Benjamin; Ghiringhelli, Luca M.; Groß, Axel; Hu, Shunbo; Íñiguez, Jorge; Kauwe, Steven Kaai; Musfeldt, Janice L.; Nicolini, Paolo; Pentcheva, Rossitza; Polcar, Tomas; Ren, Wei; Ricci, Fabio; Ricci, Francesco; Sen, Huseyin Sener; Skelton, Jonathan Michael; Sparks, Taylor D.; Stroppa, Alessandro; Urru, Andrea; Vandichel, Matthias; Vavassori, Paolo; Wu, Hua; Yang, Ke; Zhao, Hong Jian; Puggioni, Danilo; Cortese, Remedios; Cammarata, Antonio
    Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
    In: Inorganic Chemistry Jg. 58 (2019) Nr. 22, S. 14939 - 14980
    Online Volltext: dx.doi.org/ (Open Access)
  • Geisler, Benjamin; Pentcheva, Rossitza
    Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO3/LaAlO3(001) superlattices
    In: Physical Review Materials Jg. 2 (2018) Nr. 5, 055403
    Online Volltext: dx.doi.org/ (Open Access)
  • Köksal, Okan; Baidya, Santu; Pentcheva, Rossitza
    Confinement-driven electronic and topological phases in corundum-derived 3d-oxide honeycomb lattices
    In: Physical Review B Jg. 97 (2018) Nr. 3, 035126
    Online Volltext: dx.doi.org/ (Open Access)
  • Pickett, Warren E.; Lee, Kwan-Woo; Pentcheva, Rossitza
    Design of Chern insulating phases in honeycomb lattices
    In: Physica C: Superconductivity and its Applications Jg. 549 (2018) S. 99 - 101
    Online Volltext: dx.doi.org/ (Open Access)
  • Pentcheva, Rossitza; Schierle, E.; Bluschke, M.; Logvenov, G.; Wrobel, F.; Keimer, B.; Benckiser, E.; Geisler, Benjamin; Wang, Y.; van Aken, P. A.; Christiani, G.
    Digital modulation of the nickel valence state in a cuprate-nickelate heterostructure
    In: Physical Review Materials Jg. 2 (2018) Nr. 3, S. 035001
    Online Volltext: dx.doi.org/ (Open Access)
  • Gruner, Markus; Niemann, Robert; Entel, Peter; Pentcheva, Rossitza; Rößler, Ulrich K.; Nielsch, Kornelius; Fähler, Sebastian
    Modulations in martensitic Heusler alloys originate from nanotwin ordering
    In: Scientific Reports Jg. 8 (2018) Nr. 1, S. 8489
    Online Volltext: dx.doi.org/ (Open Access)
  • Veit, M. J.; Arras, R.; Ramshaw, B. J.; Pentcheva, Rossitza; Suzuki, Y.
    Nonzero Berry phase in quantum oscillations from giant Rashba-type spin splitting in LaTiO3/SrTiO3 heterostructures.
    In: Nature Communications Jg. 9 (2018) Nr. 1, S. 1458
    Online Volltext: dx.doi.org/ (Open Access)
  • Hajiyani, Hamidreza; Pentcheva, Rossitza
    Surface Termination and Composition Control of Activity of the CoₓNi₁₋ ₓFe₂O₄(001) Surface for Water Oxidation : Insights from DFT+ U Calculations
    In: ACS Catalysis Jg. 8 (2018) Nr. 12, S. 11773 - 11782
    Online Volltext: dx.doi.org/
  • Chakrapani, Kalapu; Bendt, Georg; Hajiyani, Hamidreza; Lunkenbein, Thomas; Greiner, Mark T.; Masliuk, Liudmyla; Salamon, Soma; Landers, Joachim; Schlögl, Robert; Wende, Heiko; Pentcheva, Rossitza; Schulz, Stephan; Behrens, Malte
    The role of composition of uniform and highly dispersed cobalt vanadium iron spinel nanocrystals for oxygen electrocatalysis
    In: ACS Catalysis Jg. 8 (2018) S. 1259 - 1267
    Online Volltext: dx.doi.org/ Online Volltext; Online Volltext (Open Access)
  • Singh-Bhalla, Guneeta; Rossen, Pim B.; Pálsson, Gunnar K.; Mecklenburg, Matthew; Orvis, Thomas; Das, Sujit; Tang, Yun-Long; Suresha, Jaganatha S.; Yi, Di; Dasgupta, Abhigyan; Doenning, David; Ruiz, Victor G.; Yadav, Ajay K.; Trassin, Morgan; Heron, John T.; Fadley, Charles S.; Pentcheva, Rossitza; Ravichandran, Jayakanth; Ramesh, Ramamoorthy
    Unexpected termination switching and polarity compensation in LaAlO₃/SrTiO₃ heterostructures
    In: Physical Review Materials Jg. 2 (2018) Nr. 11, 112001
    Online Volltext: dx.doi.org/ (Open Access)
  • Hufnagel, Alexander G.; Hajiyani, Hamidreza; Zhang, Siyuan; Li, Tong; Kasian, Olga; Gault, Baptiste; Breitbach, Benjamin; Bein, Thomas; Fattakhova-Rohlfing, Dina; Scheu, Christina; Pentcheva, Rossitza
    Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting : The Full Picture
    In: Advanced Functional Materials Jg. 28 (2018) Nr. 52, S. 1804472
    Online Volltext: dx.doi.org/
  • Geisler, Benjamin; Blanca-Romero, Ariadna; Pentcheva, Rossitza
    Design of n- and p-type oxide thermoelectrics in LaNiO3/SrTiO3(001) superlattices exploiting interface polarity
    In: Physical Review B Jg. 95 (2017) Nr. 12, S. 125301
    Online Volltext: dx.doi.org/ (Open Access)
  • Pentcheva, Rossitza; Gruner, Markus
    Neue Materialien errechnen : HPC in der Vorhersage neuartiger elektronischer und magnetischer Eigenschaften auf der Nanoskala mittels atomistischer quantenmechanischer Simulationen
    In: Unikate: Berichte aus Forschung und Lehre (2017) Nr. 50: Natur-, Ingenieur- und Wirtschaftswissenschaften – High-Performance und Cloud Computing, S. 86 - 97
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Neibecker, Pascal; Gruner, Markus; Xu, Xiao; Kainuma, Ryosuke; Petry, Winfried; Pentcheva, Rossitza; Leitner, Michael
    Ordering tendencies and electronic properties in quaternary Heusler derivatives
    In: Physical Review B Jg. 96 (2017) Nr. 16, S. 165131
    Online Volltext: dx.doi.org/ (Open Access)
  • Fominykh, Ksenia; Tok, Gülen Ceren; Zeller, Patrick; Hajiyani, Hamidreza; Miller, Thomas; Döblinger, Markus; Pentcheva, Rossitza; Bein, Thomas; Fattakhova-Rohlfing, Dina
    Rock Salt Ni/Co Oxides with Unusual Nanoscale-Stabilized Composition as Water Splitting Electrocatalysts
    In: Advanced Functional Materials Jg. 27 (2017) Nr. 8, S. 1605121
    Online Volltext: dx.doi.org/
  • Chakrapani, Kalapu; Bendt, Georg; Hajiyani, Hamidreza; Schwarzrock, Ingo; Lunkenbein, Thomas; Salamon, Soma; Landers, Joachim; Wende, Heiko; Schlögl, Robert; Pentcheva, Rossitza; Behrens, Malte; Schulz, Stephan
    Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction
    In: ChemCatChem Jg. 9 (2017) Nr. 15, S. 2988 - 2995
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Guo, Hongli; Gangopadhyay, Shruba; Köksal, Okan; Pentcheva, Rossitza; Pickett, Warren E.
    Wide gap Chern Mott insulating phases achieved by design
    In: npj Quantum Materials Jg. 2 (2017) 4
    Online Volltext: dx.doi.org/ (Open Access)
  • Eiteneer, D.; Pálsson, G. K.; Nemšák, S.; Gray, A. X.; Kaiser, A. M.; Son, J.; LeBeau, J.; Conti, G.; Greer, A. A.; Keqi, A.; Rattanachata, A.; Saw, A. Y.; Bostwick, A.; Rotenberg, E.; Gullikson, E. M.; Ueda, S.; Kobayashi, K; Janotti, A.; Walle, C. G. van de; Blanca-Romero, A.; Pentcheva, Rossitza; Schneider, C. M.; Stemmer, S.; Fadley, C. S.
    Depth-Resolved Composition and Electronic Structure of Buried Layers and Interfaces in a LaNiO3/SrTiO3 Superlattice from Soft- and Hard- X-ray Standing-Wave Angle-Resolved Photoemission
    In: Journal of Electron Spectroscopy and Related Phenomena Jg. 211 (2016) S. 70 - 81
    Online Volltext: dx.doi.org/ (Open Access)
  • Doennig, David; Baidya, Santu; Pickett, Warren E.; Pentcheva, Rossitza
    Design of Chern and Mott insulators in buckled 3d oxide honeycomb lattices
    In: Physical Review B Jg. 93 (2016) S. 165145
    Online Volltext: dx.doi.org/
  • Lamontagne, Leo K.; Laurita, Geneva; Gaultois, Michael W.; Knight, Michael; Ghadbeigi, Leila; Sparks, Taylor D.; Gruner, Markus; Pentcheva, Rossitza; Brown, Craig M.; Seshadri, Ram
    High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2
    In: Chemistry of Materials Jg. 28, 2016 (2016) Nr. 10, S. 3367 - 3373
    Online Volltext: dx.doi.org/
  • Wolloch, Michael; Gruner, Markus; Keune, Werner; Mohn, Peter; Redinger, Josef; Hofer, Florian; Suess, Dieter; Podloucky, Raimund; Landers, Joachim; Salamon, Soma; Scheibel, Franziska; Spoddig, Detlef; Witte, Ralf; Roldan Cuenya, Beatriz; Gutfleisch, Oliver; Hu, Michael Y.; Zhao, Jiyong; Toellner, Thomas; Alp, Ercan E.; Siewert, Mario; Entel, Peter; Pentcheva, Rossitza; Wende, Heiko
    Impact of lattice dynamics on the phase stability of metamagnetic FeRh : Bulk and thin films
    In: Physical Review B Jg. 94 (2016) Nr. 17, S. 174435
    Online Volltext: dx.doi.org/ (Open Access)
  • Middey, S.; Meyers, D.; Doennig, David; Kareev, M.; Liu, X.; Cao, Y.; Yang, Zhenzhong; Shi, Jinan; Gu, Lin; Ryan, P. J.; Pentcheva, Rossitza; Freeland, J. W.; Chakhalian, J.
    Mott Electrons in an Artificial Graphenelike Crystal of Rare-Earth Nickelate
    In: Physical Review Letters Jg. 116 (2016) Nr. 05, Art. no. 056801
    Online Volltext: dx.doi.org/
  • Witte, Ralf; Kruk, Robert; Gruner, Markus; Brand, Richard A.; Wang, Di; Schlabach, Sabine; Beck, Andre; Provenzano, Virgil; Pentcheva, Rossitza; Wende, Heiko; Hahn, Horst
    Tailoring magnetic frustration in strained epitaxial FeRh films
    In: Physical Review B Jg. 93 (2016) Nr. 10, S. 104416
    Online Volltext: dx.doi.org/ (Open Access)
  • Lorenz, M.; Ramachandra Rao, M. S.; Venkatesan, T.; Fortunato, E.; Barquinha, P.; Branquinho, R.; Salgueiro, D.; Martins, R.; Carlos, E.; Liu, A.; Shan, F. K.; Grundmann, M.; Boschker, H.; Mukherjee, J.; Priyadarshini, M.; DasGupta, N.; Rogers, D. J.; Teherani, F. H.; Sandana, E. V.; Bove, P.; Rietwyk, K.; Zaban, A.; Veziridis, A.; Weidenkaff, A.; Muralidhar, M.; Murakami, M.; Abel, S.; Fompeyrine, J.; Zuniga-Perez, J.; Ramesh, R.; Spaldin, N. A.; Ostanin, S.; Borisov, V.; Mertig, I.; Lazenka, V.; Srinivasan, G.; Prellier, W.; Uchida, M.; Kawasaki, M.; Pentcheva, Rossitza; Gegenwart, P.; Miletto Granozio, F.; Fontcuberta, J.; Pryds, N.
    The 2016 oxide electronic materials and oxide interfaces roadmap
    In: Journal of Physics D: Applied Physics Jg. 49 (2016) Nr. 43, S. 433001
    Online Volltext: dx.doi.org/ (Open Access)
  • Doennig, David; Pentcheva, Rossitza
    Control of orbital reconstruction in (LaAlO3)M/(SrTiO3)N(001) quantum wells by strain and confinement
    In: Scientific Reports Jg. 5 (2015) S. 7909
    Online Volltext: dx.doi.org/ (Open Access)
  • Li, Zi-An; Fontaíña-Troitiño, Nerio; Kovács, András; Liebana Vinas, Sara; Spasova, Marina; Dunin-Borkowski, Rafal E.; Müller, M.; Doennig, David; Pentcheva, Rossitza; Farle, Michael; Salgueiriño, Verónica
    Electrostatic doping as a source for robust ferromagnetism at the interface between antiferromagnetic cobalt oxides
    In: Scientific Reports Jg. 5 (2015) S. 7997
    Online Volltext: dx.doi.org/ Online Volltext (Open Access)
  • Gruner, Markus; Eckern, Ulrich; Pentcheva, Rossitza
    Impact of strain-induced electronic topological transition on the thermoelectric properties of PtCoO2 and PdCoO2
    In: Physical Review B: Condensed matter and materials physics Jg. 92 (2015) Nr. 23, S. 235140
    Online Volltext: dx.doi.org/ (Open Access)
  • Dennenwaldt, Teresa; Lübbe, Maike; Winklhofer, Michael; Müller, Alexander; Döblinger, Markus; Nabi, Hasan Sadat; Gandman, Maria; Cohen-Hyams, Tzipi; Kaplan, Wayne D.; Moritz, Wolfgang; Pentcheva, Rossitza; Scheu, Christina
    Insights into the structural, electronic, and magnetic properties of Fe2−x Ti x O3/Fe2O3 thin films with x = 0.44 grown on Al2O3 (0001)
    In: Journal of Materials Science Jg. 50 (2015) Nr. 1, S. 122 - 137
    Online Volltext: dx.doi.org/
  • Doennig, David; Pickett, Warren E.; Pentcheva, Rossitza
    Confinement-driven transitions between topological and Mott phases in (LaNiO3)N/(LaAlO3)M(111) superlattices
    In: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 12, S. 121110
    Online Volltext: dx.doi.org/ (Open Access)
  • Lesne, E.; Reyren, N.; Doennig, David; Mattana, R.; Jaffrès, H.; Cros, V.; Petroff, F.; Choueikani, F.; Ohresser, P.; Pentcheva, Rossitza; Barthélémy, A.; Bibes, M.
    Suppression of the critical thickness threshold for conductivity at the LaAlO3/SrTiO3 interface
    In: Nature Communications Jg. 5 (2014) S. 4291
    Online Volltext: dx.doi.org/
  • Otte, Katrin; Schmahl, Wolfgang W.; Pentcheva, Rossitza
    DFT+U study of arsenate adsorption on FeOOH surfaces : evidence for competing binding mechanisms
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 117 (2013) Nr. 30, S. 15571 - 15582
    Online Volltext: dx.doi.org/
  • Doennig, David; Pickett, Warren E.; Pentcheva, Rossitza
    Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells : a three-orbital, strongly correlated generalization of graphene
    In: Physical Review Letters Jg. 111 (2013) Nr. 12, Art. no. 126804
    Online Volltext: dx.doi.org/
  • Gray, A. X.; Minár, J.; Plucinski, Lukasz; Huijben, M.; Bostwick, A.; Rotenberg, E.; Yang, S. - H.; Braun, J.; Winkelmann, A.; Conti, G.; Eiteneer, D.; Rattanachata, A.; Greer, A. A.; Ciston, J.; Ophus, C.; Rijnders, G.; Blank, D. H. A.; Doennig, David; Pentcheva, Rossitza; Kortright, J. B.; Schneider, Claus M.; Ebert, H.; Fadley, C. S.
    Momentum-resolved electronic structure at a buried interface from soft X-ray standing-wave angle-resolved photoemission
    In: EPL (Europhysics Letters) Jg. 104 (2013) Nr. 1, Art. no. 17004
    Online Volltext: dx.doi.org/
  • Novotny, Zbynek; Mulakaluri, Narasimham; Edes, Zoltan; Schmid, Michael; Pentcheva, Rossitza; Diebold, Ulrike; Parkinson, Gareth S.
    Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface
    In: Physical Review B: Condensed matter and materials physics Jg. 87 (2013) Nr. 19, Art. no. 195410
    Online Volltext: dx.doi.org/
  • Gleason, A. E.; Quiroga, C. E.; Suzuki, A.; Pentcheva, Rossitza; Mao, W. L.
    Symmetrization driven spin transition in ε-FeOOH at high pressure
    In: Earth and Planetary Science Letters Jg. 379 (2013) S. 49 - 55
    Online Volltext: dx.doi.org/
  • Kendelewicz, T.; Kaya, S.; Newberg, J. T.; Bluhm, H.; Mulakaluri, Narasimham; Moritz, W.; Scheffler, Matthias; Nilsson, A.; Pentcheva, Rossitza; Brown Jr., G. J.
    X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe3O4(001) Surface at Near-Ambient Conditions
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 117 (2013) Nr. 6, S. 2719 - 2733
    Online Volltext: dx.doi.org/
  • Otte, Katrin; Schmahl, Wolfgang W.; Pentcheva, Rossitza
    Density functional theory study of water adsorption on FeOOH surfaces
    In: Surface Science Jg. 606 (2012) Nr. 21 - 22, S. 1623 - 1632
    Online Volltext: dx.doi.org/
  • Mulakaluri, Narasimham; Pentcheva, Rossitza
    Hydrogen adsorption and site-selective reduction of the Fe3O4(001) surface : insights from first principles
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 116 (2012) Nr. 31, S. 16447 - 16453
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Arras, Rémi; Otte, Katrin; Ruiz, Victor G.; Pickett, Warren E.
    Termination control of electronic phases in oxide thin films and interfaces : LaAlO₃/SrTiO₃(001)
    In: Philosophical transactions of the Royal Society. Series A, Mathematical, physical and engineering sciences Jg. 370 (2012) Nr. 1977, S. 4904 - 4926
    Online Volltext
  • Arras, Rémi; Ruiz, Victor G.; Pickett, Warren E.; Pentcheva, Rossitza
    Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contacts
    In: Physical Review B: Condensed matter and materials physics Jg. 85 (2012) Nr. 12, Art. no. 125404
    Online Volltext: dx.doi.org/
  • Blanca-Romero, Ariadna; Pentcheva, Rossitza
    Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices
    In: Physical Review B: Condensed matter and materials physics Jg. 84 (2011) Nr. 19,
    Online Volltext: dx.doi.org/
  • Nabi, Hasan Sadat; Pentcheva, Rossitza
    Energetic stability and magnetic coupling in (Cr1−xFex)2O3 : evidence for a ferrimagnetic ilmenite-type superlattice from first principles
    In: Physical Review B: Condensed matter and materials physics Jg. 83 (2011) Nr. 21, Art. no. 214424
    Online Volltext: dx.doi.org/
  • Freeland, J. W.; Liu, Jian; Kareev, M.; Gray, B.; Kim, J. W.; Ryan, P.; Pentcheva, Rossitza; Chakhalian, J.
    Orbital control in strained ultra-thin LaNiO3/LaAlO3 superlattices
    In: epl : a letters journal exploring the frontiers of physics Jg. 96 (2011) Nr. 5, Art. no. 57004 (5 pp)
    Online Volltext: dx.doi.org/
  • Koval, Y.; Chowdhury, F.; Jin, X.; Simsek, Y.; Lichtenberg, F.; Pentcheva, Rossitza; Müller, P.
    Resistive memory switching in layered oxides : AnBnO3n+2 perovskite derivatives and Bi2Sr2CaCu2O8+δ high-Tc superconductor
    In: Physica status solidi : pss Jg. 208 (2011) Nr. 2, S. 284 - 299
    Online Volltext: dx.doi.org/
  • Nabi, Hasan Sadat; Pentcheva, Rossitza; Ranjan, Rajeev
    Ab initio electronic structures of rhombohedral and cubic HgXO3 (X = Ti, Pb)
    In: Journal of Physics: Condensed Matter Jg. 22 (2010) Nr. 4, 045504
    Online Volltext: dx.doi.org/
  • Mulakaluri, Narasimham; Pentcheva, Rossitza; Scheffler, Matthias
    Coverage-dependent adsorption mode of water on Fe3O4(001) : insights from first principles calculations
    In: Journal of Physical Chemistry C: Nanomaterials and Interfaces Jg. 114 (2010) Nr. 25, S. 11148 - 11156
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Pickett, Warren E.
    Electronic phenomena at complex oxide interfaces : insights from first principles
    In: Journal of Physics: Condensed Matter Jg. 22 (2010) Nr. 4, 043001
    Online Volltext: dx.doi.org/
  • Nabi, Hasan Sadat; Harrison, Richard J.; Pentcheva, Rossitza
    Magnetic coupling parameters at an oxide-oxide interface from first principles : Fe2O3-FeTiO3
    In: Physical Review B: Condensed matter and materials physics Jg. 81 (2010) Nr. 21, Art. no. 214432
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Huijben, M.; Otte, Katrin; Pickett, Warren E.; Kleibeuker, J. E.; Huijben, J.; Boschker, H.; Kockmann, D.; Siemons, W.; Koster, G.; Zandvliet, H. J. W.; Rijnders, G.; Blank, D. H. A.; Hilgenkamp, H.; Brinkman, A.
    Parallel electron-hole bilayer conductivity from electronic interface reconstruction
    In: Physical Review Letters Jg. 104 (2010) Nr. 16, Art. no. 166804
    Online Volltext: dx.doi.org/
  • Parkinson, Gareth S.; Mulakaluri, Narasimham; Losovyj, Yaroslav; Jacobson, Peter; Pentcheva, Rossitza; Diebold, Ulrike
    Semiconductor–half metal transition at the Fe 3 O 4 (001) surface upon hydrogen adsorption
    In: Physical Review B: Condensed matter and materials physics Jg. 82 (2010) Nr. 12, Art. no. 125413
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Pickett, Warren E.
    Avoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through polar distortion
    In: Physical Review Letters Jg. 102 (2009) Nr. 10, Art. no. 107602
    Online Volltext: dx.doi.org/
  • Nabi, Hasan Sadat; Pentcheva, Rossitza
    Effect of strain on the stability and electronic properties of ferrimagnetic Fe2−xTixO3Fe2−xTixO3 heterostructures from correlated band theory
    In: Journal of Applied Physics Jg. 106 (2009) Nr. 07, S. 73912
    Online Volltext: dx.doi.org/
  • Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza
    First principles study of magnetism in divalent Eu perovskites
    In: Journal of Applied Physics Jg. 105 (2009) Nr. 5, S. 053905
    Online Volltext: dx.doi.org/
  • Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria; Moritz, Wolfgang; Scheffler, Matthias
    Partial dissociation of water on Fe3O4(001) : adsorbate induced charge and orbital order
    In: Physical Review Letters Jg. 103 (2009) Nr. 17, Art. no. 176102
    Online Volltext: dx.doi.org/
  • Otte, Katrin; Pentcheva, Rossitza; Schmahl, Wolfgang W.; Rustad, James R.
    Pressure-induced structural and electronic transitions in FeOOH from first principles
    In: Physical Review B: Condensed matter and materials physics Jg. 80 (2009) Nr. 20, Art. no. 205116
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Moritz, W.; Rundgren, J.; Frank, S.; Schrupp, D.; Scheffler, Matthias
    A combined DFT/LEED-approach for complex oxide surface structure determination : Fe3O4(0 0 1)
    In: Surface Science Jg. 602 (2008) Nr. 7, S. 1299 - 1305
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Nabi, Hasan Sadat
    Interface magnetism in Fe2O3/FeTiO3 heterostructures
    In: Physical Review B: Condensed matter and materials physics Jg. 77 (2008) Nr. 17, Art. no. 172405
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Pickett, Warren E.
    Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO3/SrTiO3 interface
    In: Physical Review B: Condensed matter and materials physics Jg. 78 (2008) Nr. 20, Art. no. 205106
    Online Volltext: dx.doi.org/
  • Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U.; Güntherodt, G.
    Spin-Resolved Photelectron Spectroscopy on Fe3O4 - revisited
    In: Journal of Physics: Condensed Matter Jg. 20 (2008) Nr. 14, 142201
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Pickett, Warren E.
    Correlation-driven charge order at the interface between a mott and a band insulator
    In: Physical Review Letters Jg. 99 (2007) Nr. 01, Art. no. 016802
    Online Volltext: dx.doi.org/
  • Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza
    Electronic structure and magnetism of EuTiO3 : A first-principles study
    In: Journal of Physics: Condensed Matter Jg. 19 (2007) Nr. 40, 406217
    Online Volltext: dx.doi.org/
  • Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U.; Güntherodt, G.
    Magnetite : A search for the half-metallic state
    In: Journal of Physics: Condensed Matter Jg. 19 (2007) Nr. 31, 315217
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Pickett, Warren E.
    Charge localization or itineracy at LaAlO3∕SrTiO3 interfaces : hole polarons, oxygen vacancies, and mobile electrons
    In: Physical Review B: Condensed matter and materials physics Jg. 74 (2006) Nr. 3, Art. no. 035112
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza
    Predicting the stability and properties of mineral surfaces at ambient pressure
    In: Innovatives Supercomputing in Deutschland : inSiDE Jg. 4 (2006) Nr. 1, S. 14
    Online Volltext
  • Pentcheva, Rossitza
    Ab initio study of microscopic processes in the growth of Co on Cu(001)
    In: Applied physics. A, Materials science & processing. Applied physics / A Jg. 80 (2005) Nr. 5, S. 971 - 975
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Wendler, F.; Meyerheim, H. L.; Moritz, W.; Jedrecy, N.; Scheffler, Matthias
    Jahn-Teller stabilization of a “polar” metal oxide surface : Fe3O4(001)
    In: Physical Review Letters Jg. 94 (2005) Nr. 12, Art. no. 126101
    Online Volltext: dx.doi.org/
  • Fonin, M.; Pentcheva, Rossitza; Dedkov, Yu. S.; Sperlich, M.; Vyalikh, D. V.; Scheffler, Matthias; Rüdiger, U.; Güntherodt, G.
    Surface electronic structure of the Fe3O4(100) : evidence of a half-metal to metal transition
    In: Physical Review B: Condensed matter and materials physics Jg. 72 (2005) Nr. 10, Art. no. 104436
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Fichthorn, K. A.; Scheffler, Matthias; Bernhard, T.; Pfandzelter, R.; Winter, H.
    Non-arrhenius behavior of the island density in metal heteroepitaxy : Co on Cu(001)
    In: Physical Review Letters Jg. 90 (2003) Nr. 07, Art. no. 076101
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Scheffler, Matthias
    Initial adsorption of Co on Cu(001) : a first-principles investigation
    In: Physical Review B: Condensed matter and materials physics Jg. 65 (2002) Nr. 15, Art. no. 155418
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Scheffler, Matthias
    Stable and metastable structures of Co on Cu(001) : an ab initio study
    In: Physical Review B: Condensed matter and materials physics Jg. 61 (2000) Nr. 3, Art. no. 2211
    Online Volltext: dx.doi.org/
  • Nouvertné, F.; May, U.; Bamming, F.; Rampe, A.; Korte, U.; Güntherodt, G.; Pentcheva, Rossitza; Scheffler, Matthias
    Atomic exchange processes and bimodal initial growth of Co/Cu(001)
    In: Physical Review B: Condensed matter and materials physics Jg. 60 (1999) Nr. 20, S. 14382 - 14386
    Online Volltext: dx.doi.org/

    • Beiträge in Sammelwerken und Tagungsbänden

  • Nabi, Hasan Sadat; Pentcheva, Rossitza
    Origin of interface magnetism in Fe2O3/FeTiO3 heterostructures
    In: High Performance Computing in Science and Engineering, Garching/Munich 2009: Transactions of the Fourth Joint HLRB and KONWIHR Review and Results Workshop, Dec. 8-9, 2009, Leibniz Supercomputing Centre, Garching/Munich, Germany / Wagner, Siegfried (Hrsg.) 2010, S. 565 - 574
    Online Volltext: dx.doi.org/
  • Pentcheva, Rossitza; Mulakaluri, Narasimham; Moritz, Wolfgang; Pickett, Warren E.; Kleinhenz, Hans-Georg; Scheffler, Matthias
    Compensation mechanisms and functionality of transition metal oxide surfaces and interfaces : a density functional theory study
    In: High Performance Computing in Science and Engineering, Garching/Munich 2007: Transactions of the Third Joint HLRB and KONWIHR Status and Result Workshop, Dec. 3–4, 2007, Leibniz Supercomputing Centre, Garching/Munich, Germany / High Performance Computing in Science and Engineering, Garching/Munich 2007 / Wagner, Siegfried (Hrsg.) 2009, S. 709 - 717
    Online Volltext: dx.doi.org/
  • Hjörvarsson, Björgvin; Pentcheva, Rossitza
    Modern growth problems and growth techniques
    In: Magnetic heterostructures: advances and perspectives in spinstructures and spintransport / Zabel, Hartmut (Hrsg.) 2008, S. 1 - 44
  • Pentcheva, Rossitza; Wagner, Frank; Moritz, Wolfgang; Scheffler, Matthias
    Structure, energetics and properties of Fe3O4(001) from first principles
    In: High Performance Computing in Science and Engineering, Munich 2004: ransactions of the Second Joint HLRB and KONWIHR Status and Result Workshop, March 2–3, 2004, Technical University of Munich, and Leibniz-Rechenzentrum Munich, Germany / High Performance Computing in Science and Engineering, Munich 2004 / Wagner, Siegfried (Hrsg.) 2005, S. 375 - 381
    Online Volltext: dx.doi.org/
  • Fichthorn, Kristen A.; Merrick, Michael L.; Pentcheva, Rossitza; Scheffler, Matthias
    Island nucleation in metal thin-film growth
    In: Atomistic Aspects of Epitaxial Growth / Kotrla, Miroslav (Hrsg.) 2002, S. 87 - 97
    Online Volltext: dx.doi.org/

    • Dissertation

  • Pentcheva, Rossitza
    Theory of adsorption, diffusion, and growth of cobalt on Cu(001)
    Berlin (2000) 136, IV S

    • Forschungsberichte

  • Pentcheva, Rossitza; ; Eberhardt, W.
    Ab-initio Rechnungen zum Zusammenhang zwischen Magnetismus und Struktur ultradünner Filme
    In: Berichte des Forschungszentrums Jülich Jülich Jg. 3364 (1997) 98 Seiten
    Online Volltext

    • Vorträge

  • Pentcheva, Rossitza;
    Nanoskalige Übergangsmetalloxide : Faszinierende Materialien, spannende Anwendungsmöglichkeiten
    Die kleine Form, 16. November 2016, Essen,
    In: Die kleine Form 2016/2017 (2016)
    Online Volltext