E. Adabifiroozjaei, F. Maccari, L. Schäfer, T. Jiang, O. Recalde-Benitez, A. Chirkova, N. Shayanfar, I. Dirba, N. A Kani, O. Shuleshova, R. Winkler, A. Zintler, Z. Rao, L. Pfeuffer, A. Kovács, R. E. Dunin-Borkowski, K. Skokov, B. Gault, M. Gruner, O. Gutfleisch, L. Molina-Luna

Martensitic Phase Transformation in Short-Range Ordered Fe₅₀Rh₅₀ System Induced by Thermal Stress and Mechanical Deformation,  Acta Materialia 264, 119577 (2024)

M. Verma, R. Pentcheva

Tuning the carrier localization, magnetic and thermoelectric properties of ultrathin (LaNiO_3−δ)₁/(LaAlO₃)₁(001) superlattices by oxygen vacancies,  Phys. Rev. Research 6, 013189 (2024)

S. Rafiezadeh, V. Begum-Hudde, R. Pentcheva

Electronic and optical properties of the fully and partially inverse CoFe₂O₄ spinel from first principles calculations including many-body effects,  Phys. Rev. B 109, 195172 (2024)

M. Friák, O. Schneeweiss, J. Kamarád, J. Kaštil, O.N. Miroshkina, M.E. Gruner

Impact of swaps on Mössbauer characteristics of Ni₂MnSn: an experimental and quantum-mechanical study,  J. Mater. Sci. 59, 5595 (2024)

P. Rosenberger, A. Darmawan, O. Fedchenko, O. Tkach, S. V. Chernov, D. Kutnyakhov, M. Hoesch, R. Pentcheva, G. Schönhense, H.-J. Elmers, M. Müller

Spin polarization of the two-dimensional electron gas at the EuO/SrTiO3 interface,  arXiv (2024)

M. Kane, P. P. Balakrishnan, O. Köksal, M. Holtz, A. Suter, M. R. Fitzsimmons, C.-Y. Yang, C. Klewe, P. Quarterman, T. R. Charlton, A. Herzing, Z. Salman, T. Prokscha, R. Pentcheva, A. J. Grutter, Y. Suzuki

Evidence of antiferromagnetism in ultrathin metallic (111)-oriented LaNiO3 films,  Phys. Rev. Mater. (Editor's suggestion) 8, 124406 (2024)

Z. Liu, H. M.A. Amin, Y. Peng, M. Corva, R. Pentcheva, K. Tschulik

Facet-Dependent Intrinsic Activity of Single Co₃O₄ Nanoparticles for Oxygen Evolution Reaction,  Adv. Funct. Mater. 33(1), 2210945 (2023)

B. Beckmann, D. Koch, L. Pfeuffer, T. Gottschall, A. Taubel, E. Adabifiroozjaei, O. N. Miroshkina, S. Riegg, T. Niehoff, N. A. Kani, M. E. Gruner, L. Molina-Luna, K. P. Skokov, O. Gutfleisch

Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys,  Acta Materialia 246, 118695 (2023)

V. Begum-Hudde, T. Lojewski, N. Rothenbach, B. Eggert, A. Eschenlohr, K. Ollefs, M. E. Gruner, R. Pentcheva

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,  Phys. Rev. Research 5, 013199 (2023)

B. H. Goodge, B. Geisler, K. Lee, M. Osada, B. Y. Wang, D. Li, H. Y. Hwang, R. Pentcheva, L. F. Kourkoutis

Resolving the polar interface of infinite-layer nickelate thin films,  arXiv:2201.03613v1 [cond-mat.supr-con],  Nat. Mater. 22, 466–473 (2023)

N. Josten, S. Noorzayee, O. Miroshkina, B. Zingsem, M. Acet, U. Wiedwald, A. Çakır, M. E. Gruner, M. Farle

Emergence of net magnetization by magnetic-field-biased diffusion in antiferromagnetic L1₀ NiMn,  Phys. Rev. B 107, 174417 (2023),  arXiv

N. Josten, O. Miroshkina, M. Acet, M. E. Gruner, M. Farle

Annealing time, temperature, and field dependence of pinned magnetic moments in the collinear antiferromagnet PdMn,  https://doi.org/10.48550/arXiv.2303.03114

K.P. Skokov, A.Y. Karpenkov, D.Y. Karpenkov, I.A. Radulov, D. Günzing, B. Eggert, A. Rogalev, F. Wilhelm, J. Liu, Y. Shao, K. Ollefs, M.E. Gruner, H. Wende, O. Gutfleisch

A multi-stage, first-order phase transition in LaFe_11.8Si_1.2: interplay between the structural, magnetic and electronic degrees of freedom,  Appl. Phys. Rev. 10, 031408 (2023),  arXiv

O. Köksal, L. L. Li, R. Pentcheva

High Chern numbers in a perovskite-derived dice lattice (LaXO₃)₃/(LaAlO₃)₃(111) with X= Ti, Mn and Co,  Sci. Reports 13, 10615 (2023)

A. Sahinovic, B. Geisler, R. Pentcheva

Nature of the magnetic coupling in infinite-layer nickelates versus cuprates, Phys. Rev. Materials 7, 114803 (2023)

E. Shomali, M.E. Gruner, R. Pentcheva

Concerted mechanism of carrier dynamics in laser-excited Fe_n/(MgO)_m(001) heterostructures from real-time time-dependent DFT,  Advanced Theory and Simulations 6, 2300319 (2023)

M. Heckschen, Y. Beyazit, E. Shomali, F. Kühne, J. Jayabalan, P. Zhou, D. Diesing, M. E. Gruner, R. Pentcheva, A. Lorke, B. Sothmann, U. Bovensiepen

Spatio-temporal electron propagation dynamics in Au/Fe/MgO(001) in nonequilibrium: Revealing single scattering events and the ballistic limit,  PRX Energy 2, 043009 (2023)

A. Füngerlings, M. Wohlgemuth, D. Antipin, E. van der Minne, E. M. Kiens, J. Villalobos, M. Risch, F. Gunkel, R. Pentcheva, C. Baeumer

Crystal-facet-dependent surface transformation dictates the oxygen evolution reaction activity in lanthanum nickelate,  Nature Communications 14, 8284 (2023)

O. N. Miroshkina; V. V. Sokolovskiy; V. D. Buchelnikov; M. E. Gruner

Electronic and Vibrational Properties of Fe₂NiAl and Co₂NiAl Full Heusler Alloys: A First-Principles Comparison,  IEEE Trans. Magn. 58, 1 (2022)

V.V. Sokolovskiy, O.N. Miroshkina, V.D. Buchelnikov, M.E. Gruner

Impact of local arrangement of Fe and Ni on the phase stability and magnetocrystalline anisotropy in Fe-Ni-Al Heusler alloys,  Phys. Rev. Mater. 6, 025402 (2022)

D. Koch, B. Beckmann, J. Hester, N. Fortunato, O. Miroshkina, M. E. Gruner, H. Zhang, O. Gutfleisch, W. Donner

Chemical long range ordering in all-d-metal Heusler alloys,  J. Appl. Phys. 131, 073903 (2022)

V. Sokolovskiy, O. Miroshkina, A. Sanosyan, D. Baigutlin, V. Buchelnikov, M. E. Gruner

Magnetic and structural properties of Co-Ni-Z (Z = Al, Ga, In, Sn) Heusler alloys: Effect of structural motives and chemical disorder,  J. Magn. Magn. Mater. 546, 168728 (2022)

R. S. Bisht, M. Mograbi, P. K. Rout, G. Tuvia, Y. Dagan, Hyeok Yoon, A. G. Swartz, H. Y. Hwang, L. L. Li, R. Pentcheva

Concomitant appearance of conductivity and superconductivity in (111)LaAlO₃/SrTiO₃ interface with metal capping,  Phys. Rev. Mater. 6, 044802 (2022)

R. Di Capua, M. Verma, M. Radovic, V. N. Strocov, C. Piamonteze, E. B. Guedes, N. Plumb, Yu Chen, M. D'Antuono, G. M. De Luca, E. Di Gennaro, D. Stornaiuolo, D. Preziosi, B. Jouault, F. Miletto Granozio, A. Sambri, R. Pentcheva, G. Ghiringhelli, M. Salluzzo

Orbital selective switching of ferromagnetism in an oxide quasi two-dimensional electron gas,  npj Quantum Mater. 7, 41 (2022)

P. Radhakrishnan, B. Geisler, K. Fürsich, D. Putzky, Y. Wang, G. Christiani, G. Logvenov, P. Wochner, P. A. van Aken, R. Pentcheva, E. Benckiser

Coupling of electronic and structural degrees of freedom in vanadate superlattices,  Phys. Rev. B 105, 165117 (2022)

E. Shomali, M. E. Gruner, R. Pentcheva

Anisotropic carrier dynamics in a laser-excited Fe1/(MgO)3(001) heterostructure from real-time time-dependent DFT,  Phys. Rev. B 105, 245103 (2022)

M. Verma, R. Pentcheva

Metal-insulator transition and robust thermoelectricity via strain-tuned interplay between structural and electronic properties in (SrVO₃)₁/(SrTiO₃)₁(001) superlattices,  Phys. Rev. Res. 4, 033013 (2022)

T. Heider, T. Gerber, O. Köksal, M. Eschbach, E. Młyńczak, P. Lömker, P. Gospodaric, M. Gehlmann, M. Plötzing, R. Pentcheva, L. Plucinski, C. M. Schneider, M. Müller

Temperature-dependent spin-resolved electronic structure of EuO thin films,  Phys. Rev. B 106, 054424 (2022)

B. Geisler, S. Follmann, R. Pentcheva

Oxygen vacancy formation and electronic reconstruction in strained LaNiO₃ and LaNiO₃/LaAlO₃ superlattices,  Phys. Rev. B 106, 155139 (2022)

F. Cugini, S. Chicco, F. Orlandi, G. Allodi, P. Bonfá, V. Vezzoni, O.N. Miroshkina, M. E. Gruner, L. Righi, S. Fabbrici, F. Albertini, R. De Renzi, M. Solzi

Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloys,  Phys. Rev. B 105, 174434 (2022)

B. Wilfong, A. Fedorko, D.R. Baigutlin, O.N. Miroshkina, X. Zhou, G.M. Stephen, A.L. Friedman, V. Sharma, O. Bishop, R. Barua, S.P. Bennett, D.Y. Chung, M.G. Kanatzidis, V.D. Buchelnikov, V.V. Sokolovskiy, B. Barbiellini, A. Bansil, D. Heiman, M.E. Jamer

Helical spin ordering in room-temperature metallic antiferromagnet Fe₃Ga₄,  J. Alloys Compd. 917, 165532 (2022)

V.V. Sokolovskiy, O.N. Miroshkina, V.D. Buchelnikov

Review of Modern Theoretical Approaches for Study of Magnetocaloric Materials. Physics of Metals and Metallography,  Phys. Met. Metallogr. 123, 319 (2022)

O.N. Miroshkina, B. Eggert, J. Lill, B. Beckmann, D. Koch, M. Y. Hu, T. Lojewski, S. Rauls, F. Scheibel, A. Taubel, M. Šob, K. Ollefs, O. Gutfleisch, H. Wende, M. E. Gruner, M. Friak

Impact of magnetic and antisite disorder on the vibrational densities of states in Ni₂MnSn Heusler alloys,  Phys. Rev. B 106, 214302 (2022)

O. Köksal, R. Pentcheva

Chern insulating phases and thermoelectric properties of EuO/MgO(001) superlattices,  Phys. Rev. B 103, 045135 (2021)

B. Geisler, R. Pentcheva

Correlated interface electron gas in infinite-layer nickelate versus cuprate film on SrTiO₃(001),  Phys. Rev. Research, 3, 013261 (2021)

Y. Peng, H. Hajiyani, R. Pentcheva

Influence of Fe and Ni Doping on the OER Performance at the  Co₃O₄(001) Surface: Insights from DFT+ U Calculations,  ACS Catal., 11, 5601–5613 (2021)

V. Begum, M. E. Gruner, C. Vorwerk, C. Draxl, R. Pentcheva

Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects,  Phys. Rev. B 103, 195128 (2021)

Y. Liu, Y. Peng, M. Naschitzki, S. Gewinner, W. Schöllkopf, H. Kuhlenbeck, R. Pentcheva, B. Roldan Cuenya

Surface oxygen vacancies on reduced Co₃O₄(100): Superoxide formation and ultra-low-temperature CO oxidation,  Angew. Chem. Int. Ed. 60, 16514-16520 (2021)

S. Esser, J. Wu, S. Esser, R. Gruhl, A. Jesche, V. Roddatis, V. Moshnyaga, R. Pentcheva, P. Gegenwart

Angular dependence of Hall effect and magnetoresistance in SrRuO₃-SrIrO₃ heterostructures,  Phys. Rev. B 103, 214430 (2021)

P. Radhakrishnan, B. Geisler, K. Fürsich, D. Putzky, Y. Wang, S. Ilse, G. Christiani, P. Wochner, G. Logvenov, P. A. van Aken, E. Goering, R. Pentcheva, E. Benckiser

Orbital engineering in YVO₃-LaAlO₃ superlattices,  Phys. Rev. B 104, L121102 (2021)

A. Füngerlings, A. Koul, M. Dreyer, A. Rabe, D. M. Morales, W. Schuhmann, M. Behrens, R. Pentcheva

Synergistic Effects of Co and Fe on the OER activity of LaCo_xFe_1−xO₃,  Chem. Eur. J. 27, 17145-17158 (2021)

B. Geisler, P. Yordanov, M. E. Gruner, B. Keimer, R. Pentcheva

Tuning the thermoelectric properties of transition-metal oxide thin films and superlattices on the quantum scale,  Phys. Status Solidi B 259, 2100270 (2021)

T. Falk, S. Anke, H. Hajiyani, S. Saddeler, S. Schulz, R. Pentcheva, B. Peng, M. Muhler

Influence of the particle size on selective 2-propanol gas-phase oxidation over Co₃O₄ nanospheres,  Catal. Sci. Technol. 11, 7552-7562 (2021)

N. Rothenbach, M. E. Gruner, K. Ollefs, C. Schmitz-Antoniak, S. Salamon, P. Zhou, R. Li, M. Mo, S. Park, X. Shen, S. Weathersby, J. Yang, X. J. Wang, O. Šipr, H. Ebert, K. Sokolowski-Tinten, R. Pentcheva, U. Bovensiepen, A. Eschenlohr, H. Wende

Effect of lattice excitations on transient near-edge x-ray absorption spectroscopy,  Phys. Rev. B 104, 144302 (2021)

J. Wu, M. Zöllner, S. Esser, V. Begum, G. Prinz, A. Lorke, P.Gegenwart, R. Pentcheva

Electronic reconstruction and charge transfer in strained Sr₂CoIrO₆ double perovskite,  Phys. Rev. B, 104, 205126 (2021)

R. Di Capua, M. Verma, M. Radovic, N. C. Plumb, J. H. Dil, Z. Ristic, E. B. Guedes, G. M. De Luca, D. Preziosi, Z. Wang, A. P. Weber, R. Pentcheva, M. Salluzzo

A two-dimensional electron gas at the (001) surface of ferromagnetic EuTiO₃(001), Phys. Rev. Res. 3, L042038 (2021)

A. Sahinovic, B. Geisler

Active learning and element-embedding approach in neural networks for infinite-layer versus perovskite oxides,  Phys. Rev. Res. 3, L042022 (2021)

V.D. Buchelnikov, V.V. Sokolovskiy, O.N. Miroshkina, D.R. Baigutlin, M.A. Zagrebin, B. Barbiellini, E. Lähderanta

Prediction of a Heusler alloy with switchable metal-to-half-metal behavior,  Phys. Rev. B 103, 054414 (2021)

V. D. Buchelnikov, V. V. Sokolovskiy, O. N. Miroshkina, D. R. Baigutlin, M. A. Zagrebin, B. Barbiellini, B. Singh, A. Bansil, E. Lähderanta

Design of a Stable Heusler Alloy with Switchable Metal-to-Half-Metal Transition at Finite Temperature,  Adv. Theory Simul. 4, 2100311 (2021)

S. S. Hong, M. Gu, M. Verma, V. Harbola, B. Y. Wang, D. Lu, A. Vailionis, Y. Hikita, R. Pentcheva, J. M. Rondinelli, H. Y. Hwang

Extreme tensile strain states in La_0.7Ca_0.3MnO₃ membranes , Science 368, 71–76 (2020)

S. Zhang, H. Hajiyani, A.G. Hufnagel, J. Kampmann, B. Breitbach, T. Bein, D. Fattakhova-Rohlfing,  R. Pentcheva, C. Scheu,

Sn-Doped Hematite for Photoelectrochemical Water Splitting: The Effect of Sn Concentration, Z. Phys. Chem.,  234(4): 683-698 (2020)

H. Hajiyani, R. Pentcheva

Influence of 3d, 4d and 5d Dopants on the Oxygen Evolution Reaction at α-Fe₂O₃(0001) under Dark and Illumination Conditions,

(Special topic on oxide chemistry and catalysis), J. Chem. Phys. 152, 124709  (2020)

B. Geisler, R. Pentcheva,

Competition of defect ordering and site disproportionation in strained LaCoO₃ on SrTiO₃(001) Phys. Rev. B,  101, 165108  (2020)

L. L. Li, C. Bacaksiz, M. Nakhaee, R. Pentcheva, F. M. Peeters, and M. Yagmurcukardes,

Single-layer Janus black arsenic-phosphorus (b-AsP): Optical dichroism, anisotropic vibrational, thermal, and elastic properties, Phys. Rev. B 101, 134102 (2020)

B. Eggert, M. E. Gruner, K. Ollefs, E. Schuster, N. Rothenbach, M. Y. Hu, J. Zhao, T. S. Toellner, W. Sturhahn, R. Pentcheva, B. Roldan Cuenya, E. E. Alp, H. Wende, W. Keune,

Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations, arXiv:1911.05666, Phys. Rev. Materials 4, 044402 (2020)

B. Geisler, R. Pentcheva,

Fundamental difference in the electronic reconstruction of infinite-layer vs. perovskite neodymium nickelate films on SrTiO₃(001), Phys. Rev. B 102, 020502(R) (2020),  (Rapid Communications, Editor's suggestion)

J. Kampmann, S. Betzler,  H. Hajiyani, S.  Häringer, M. Beetz, T. Harzer,  J. Kraus , B. Lotsch, C. Scheu,  R. Pentcheva, D. Fattakhova-Rohlfing, T. Bein,

How photocorrosion can trick you: A detailed study on low-bandgap Li doped CuO photocathodes for solar hydrogen production, Nanoscale, 14, 7766-7775 (2020) 

A. Terwey, M. E. Gruner, W. Keune, J. Landers, S. Salamon, B. Eggert, K. Ollefs, V. Brabänder, I. Radulov, K. Skokov, T. Faske, M. Y. Hu, J. Zhao, E. E. Alp, C. Giacobbe, O. Gutfleisch, H. Wende,

Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe_11.4Si_1.6H_1.6, Phys. Rev. B 101, 064415 (2020)

F. Belviso, V. E. P. Claerbout, A. Comas-Vives, N. S. Dalal, F. Fan, A. Filippettim, V. Fiorentini, L. Foppa, C. Franchini,  B. Geisler, L. M. Ghiringhelli, A. Groß, S. Hu, J. Iniguez, S. K. Kauwe, J. L. Musfeldt, P. Nicolini, R. Pentcheva, T. Polcar, ...

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications, Inorg. Chem. 58, 22, 14939-14980, (2019)

A. Arab, X.  Liu, O. Köksal, W. Yang,  R. U. Chandrasena,  S. Middey,  M. Kareev, S. Kumar,  M.-A. Husanu, Z. Yang, L. Gu, V. N. Strocov, T.-L. Lee, J. Minár,  R. Pentcheva,  J. Chakhalian,  A. X. Gray ,

N. Rothenbach, M. E. Gruner, K. Ollefs, C. Schmitz-Antoniak, S. Salamon, P. Zhou, R. Li, M. Mo, S. Park, X. Shen, S. Weathersby, J. Yang, X. J. Wang, R. Pentcheva, H. Wende, U. Bovensiepen, K. Sokolowski-Tinten, A. Eschenlohr,

Microscopic non-equilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure, arXiv:1902.05264, Phys. Rev. B, 100, 17430 (2019)

M. Verma, B. Geisler, and R. Pentcheva,

Effect of confinement and octahedral rotations on the electronic, magnetic, and thermoelectric properties of correlated SrXO 3/SrTiO3(001) superlattices with X= V, Cr, or Mn. Phys. Rev. B, 100, 165126 (2019)

V. Begum, M. E. Gruner, R. Pentcheva,

Role of the exchange-correlation functional on the structural, electronic and optical properties of cubic and tetragonal SrTiO₃ including many-body effects,Phys. Rev. Mater. 3, 065004 (2019)

O. Köksal, and R. Pentcheva,

Chern and Z₂ topological insulating phases in perovskite-derived 4d and 5d oxide buckled honeycomb lattices,  Scientific Reports , 9, 17306 (2019)

S. Anke, G. Bendt, I. Sinev,  H. Hajiyani,  H. Antoni, I. Zegkinoglou, H. Jeon, R. Pentcheva, B. Roldan Cuenya, S. Schulz, M. Muhler,

O. Köksal, and R. Pentcheva,

Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based 4d and 5d oxide honeycomb lattices, , J. Phys. Chem. Solids, 128, 301-309 (2019)

M. E. Gruner, R. Pentcheva,

Dynamics of optical excitations in a Fe/MgO(001) heterostructure from time-dependent density functional theory, Phys. Rev. B 99, 195104 (2019)

M. J. Veit, M. K. Chan, B. J. Ramshaw, R. Arras, R. Pentcheva, Y. Suzuki,

Three-dimensional character of the Fermi surface in ultrathin ${\mathrm{LaTiO}}_3/{\mathrm{SrTiO}}_3$ heterostructures, Phys. Rev. B 99, 115126 (2019)

B. Geisler, R. Pentcheva,

Inducing n- and p-type thermoelectricity in oxide superlattices by strain tuning of orbital-selective transport resonances, Phys. Rev. Applied 11, 044047 (2019)

R. Witte, R. Kruk, D. Wang, S. Schlabach, R. A. Brand, M. E. Gruner, H. Wende, H. Hahn,

Epitaxial strain adaption in chemically disordered FeRh thin films, Phys. Rev. B 99, 134109 (2019)

G. Cavazzini, F. Cugini, M. E. Gruner, C. Bennati, L. Righi, S. Fabbrici, F. Albertini, M. Solzi,

Tuning the magnetic and magnetocaloric properties of austenitic Ni-Mn-(In,Sn) Heuslers, Scripta Materialia 170, 48 (2019)

P. Yordanov, W. Sigle, P. Kaya, M. E. Gruner, R. Pentcheva, B. Keimer, H.-U. Habermeier,

Large thermopower anisotropy in PdCoO₂ thin films, Phys. Rev. Mater. 3, 085403 (2019)

V. V. Sokolovskiy, M. E. Gruner, P. Entel, M. Acet, A. Çakır, D. R. Baigutlin, V. D. Buchelnikov,

Segregation tendency of Heusler alloys, Phys. Rev. Mater. 3, 0084413 (2019)

H. Hajiyani, R. Pentcheva

Surface termination and composition control of activity of the CoxNi(1-x)Fe2O4 (001) surface for water oxidation: insights from DFT+U calculations, ACS Catal., 8, 11773-11782 (2018)

G. Singh-Bhalla, P. B. Rossen, G. K. Palsson, M. Mecklenburg, T. Orvis, S. Das, Y. Tang, J. S. Suresha, D. Yi, A. Dasgupta, D. Doenning, V. G. Ruiz, A. K. Yadav, M. Trassin, J. T. Heron, C. S. Fadley, R. Pentcheva, J. Ravichandran, and R. Ramesh

Unexpected termination switching and polarity compensation in LaAlO3/SrTiO3 heterostructures, Phys. Rev. Mater. 2 112001(R) (2018)

M. J. Veit, R. Arras, B. J. Ramshaw, R. Pentcheva, Y. Suzuki

Nonzero Berry phase in quantum oscillations from giant Rashba-type spin splitting in LaTiO3/SrTiO3 heterostructures, Nat. Commun 9, 1458 (2018)

B. Geisler, R. Pentcheva,

Confinement- and strain-induced enhancement of thermoelectric properties in LaNiO3/LaAlO3 (001) superlattices, Phys. Rev. Materials 2, 055403 (2018)

F. Wrobel, B. Geisler, Y. Wang, G. Christiani,  G. Logvenov, M. Bluschke, E. Schierle, P. A. van Aken,  B. Keimer, R. Pentcheva, and E. Benckiser,

A.G. Hufnagel, H. Hajiyani, S. Zhang, T. Li, O. Kasian, B. Gault, B. Breitbach, T. Bein, D. Fattakhova-Rohlfing, C. Scheu, R. Pentcheva

Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting - The Full Picture, Adv. Funct. Mater., 165, 1804472 (2018)

K. Chakrapani, G. Bendt, H. Hajiyani, T. Lunkenbein, M. Greiner, L. Masliuk, S. Salamon, J. Landers,  R. Schloegl, H. Wende, R. Pentcheva, S. Schulz, and M. Behrens,

The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis. ACS Catal., 8, 1259-1267 (2018)

O. Köksal, S. Baidya, and R. Pentcheva,

Confinement-driven electronic and topological phases in corundum-derived $3d$-oxide honeycomb lattices, Phys. Rev. B 97, 035126 (2018)

W. E. Pickett, K. -W. Lee, and R. Pentcheva,

Design of Chern insulating phases in honeycomb lattices, Physica C: Superconductivity and its Applications 549, 99-101 (2018)

P. Entel, M. E. Gruner, S. Fähler, M. Acet, A. Çahır, R. Arróyave, S. Sahoo, T. C. Duong, A. Talapatra, L. Sandratskii, S. Mankowsky, T. Gottschall, O. Gutfleisch, P. Lázpita, V. A. Chernenko, J. M. Barandiaran, V. V. Sokolovskiy, V. D. Buchelnikov

Probing Structural and Magnetic Instabilities and Hysteresis in Heuslers by Density Functional Theory Calculations, Physica Status Solidi B 255, 1700296 (2018)

M. E. Gruner, W. Keune, J. Landers, S. Salamon, M. Krautz, J. Zhao, M. Y. Hu, T. Toellner, E. E. Alp, O. Gutfleisch, H. Wende

Moment-volume coupling in La(Fe_1-xSi_x)₁₃, Physica Status Solidi B 255, 1700465 (2018)

Anja Waske, Markus E. Gruner, Tino Gottschall, Oliver Gutfleisch

Magnetocaloric materials for refrigeration near room temperature, MRS Bulletin 43, 269 (2018)

M. E. Gruner, R. Niemann, P. Entel, R. Pentcheva, U. K. Rössler, K. Nielsch, S. Fähler,

Modulations in martensitic Heusler alloys originate from nanotwin ordering, arXiv:1701.01562, Scientific Reports 8, 8489 (2018)

F. Scheibel, T. Gottschall, A. Taubel, M. Fries, K. P. Skokov, A. Terwey, W. Keune, K. Ollefs, H. Wende, M. Farle, M. Acet, O. Gutfleisch, M. E. Gruner,

Hysteresis design of novel magnetocaloric materials - from basic mechanisms to applications, Energy Technology 6, 1397-1428 (2018)

J. Landers, S. Salamon, W. Keune, M. E. Gruner, M. Krautz, J. Zhao, M. Y. Hu, T. S. Toellner, E. E. Alp, O. Gutfleisch, H. Wende,

Determining the vibrational entropy change in the giant magnetocaloric LaFe_11.6Si_1.4 by nuclear resonant inelastic x-ray scattering, Phys. Rev. B 98, 024417 (2018)

P. Entel, M. E. Gruner, M. Acet, A. Çakır, R. Arroyave, T. Duong, S. Sahoo, S. Fähler, V. V. Sokolovskiy,

Properties and Decomposition of Heusler Alloys, Energy Technology 6, 1478-1490 (2018)

P. Entel, M. E. Gruner, M. Acet, A. Hucht, A. Çakır, R. Arróyave, I. Karaman, T. C. Duong, A. Talapatra, N. M. Bruno, D. Salas, S. Mankovsky, L. Sandratskii, T. Gottschall, O. Gutfleisch, S. Sahoo, S. Fähler, P. Lázpita, V. A. Chernenko, J. M. Barandiaran, V. D. Buchelnikov, V. V. Sokolovskiy, T. Lookman, X. Ren,

Probing Glassiness in Heuslers via Density Functional Theory Calculations, in: T. Lookman, X. Ren (eds) Frustrated Materials and Ferroic Glasses. Springer Series in Materials Science, vol. 275, Springer, Cham (2018)

H. Guo, S. Gangopadhyay, O. Köksal, R. Pentcheva, and W. E. Pickett, 

Wide gap Chern Mott insulating phases achieved by design, npj Quantum Materials 2, 4 (2017)

K. Fominykh, G. Ceren Tok, P. Zeller, H. Hajiyani, T. Miller, M. Döbliner, R. Pentcheva, T. Bein and D. Fattakhova-Rohlfing,

Rock salt Ni/Co oxides with unusual nanoscale-stabilized composition as water splitting electrocatalysts, Adv. Funct. Mat. 27 1605121 (2017)

B. Geisler, A. Blanca-Romero, R. Pentcheva,

Design of n- and p-type oxide thermoelectrics in LaNiO₃/SrTiO₃(001) superlattices exploiting interface polarity, Phys. Rev. B  95, 125301 (2017)

K. Chakrapani, G. Bendt, H. Hajiyani, I. Schwarzrock, T. Lunkenbein, S. Salamon, J. Landers, H. Wende, R. Schlögl, R. Pentcheva, M. Behrens, S. Schulz,

Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction, ChemCatChem. 9, 2988-2995, (2017)

P. Entel, A. Talapatra, R. Arroyave, N. Singh, M. E. Gruner, R. Dronskowski, D. Bogdanovski, A. Hucht,

First-Principles and Monte Carlo Studies of Magnetocaloric Effects, Advances in Science and Technology 97, 124-133 (2017)

A. Kundu, M. E. Gruner, M. Siewert, A. Hucht, P. Entel, S. Ghosh,

Interplay of phase sequence and electronic structure in the modulated martensites of Mn₂NiGa from first-principles calculations,Phys. Rev. B 96, 064107 (2017)

P.  Neibecker, M. E. Gruner, X. Xu, R. Kainuma, W. Petry, R. Pentcheva, M. Leitner,

Ordering tendencies and electronic properties in quaternary Heusler derivatives , Phys. Rev. B 96, 165131 (2017)

B. Schleicher, D. Klar, K. Ollefs, A. Diestel, D. Walecki, E. Weschke, L. Schultz, K. Nielsch, S. Fahler, H. Wende, M. E. Gruner

Electronic structure and magnetism of epitaxial Ni-Mn-Ga(-Co) thin films with partial disorder: A view across the phase transition, J. Phys. D.: Appl. Phys. 50, 465005 (2017)

R. Pentcheva, M. E. Gruner,

Neue Materialien errechnen, UNIKATE - Berichte aus Forschung und Lehre (Universität Duisburg-Essen), Nr. 50, S. 86 (2017), ISSN 1869-3381

M. Lorenz, M. S. Ramachandra Rao, T. Venkatesan, E. Fortunato, P. Barquinha, R. Branquinho, D. Salgueiro, R. Martins, E. Carlos, A. Liu, F. K. Shan, M. Grundmann, H. Boschker, J. Mukherjee, M. Priyadarshini, N. DasGupta, D. J. Rogers, F. H. Teherani, E. V. Sandana, P. Bove, K. Rietwyk, A. Zaban, A. Veziridis, A. Weidenkaff, M. Muralidhar, M. Murakami, S. Abel, J. Fompeyrine, J. Zuniga-Perez, R. Ramesh, N. A. Spaldin, S. Ostanin, V. Borisov, I. Mertig, V. Lazenka, G. Srinivasan, W. Prellier, M. Uchida, M. Kawasaki, R. Pentcheva, P. Gegenwart, F. Miletto Granozio, J. Fontcuberta and N. Pryds,

The 2016 oxide electronic matetials and oxide interfaces roadmap, J. Phys. D: Appl. Phys. 49, 433001 (2016)

D. Eiteneer, G. K. Pálsson, S. Nemšák, A. X. Gray, A. M. Kaiser, J. Son, J. LeBeau, G. Conti, A. A. Greer, A. Keqi, A. Rattanachata, A. Y. Saw, A. Bostwick, E. Rotenberg, E. M. Gullikson, S. Ueda, K. Kobayashi, A. Janotti, C. G. Van de Walle, A. Blanca-Romero, R. Pentcheva, C. M. Schneider, S. Stemmer, C. S. Fadley,

D. Doennig, S. Baidya, W.E. Pickett and R. Pentcheva,

Design of Chern and Mott insulators in buckled 3d oxide honeycomb lattices, Phys. Rev. B 93, 165145 (2016)

Ralf Witte, Robert Kruk, Markus E. Gruner, Richard A. Brand, Di Wang, Sabine Schlabach, Andre Beck, Virgil Provenzano, Rossitza Pentcheva, Heiko Wende and Horst Hahn,

Tailoring magnetic frustration in strained epitaxial FeRh films, Phys. Rev. B 93, 104416 (2016)

S. Middey, D. Meyers, D. Doennig, M. Kareev, X. Liu, Y. Cao, Zhenzhong Yang, Jinan Shi, Lin Gu, P. J. Ryan, R. Pentcheva, J. W. Freeland, and J. Chakhalian,

Mott Electrons in an Artificial Graphenelike Crystal of Rare-Earth Nickelate, Phys. Rev. Lett. 116, 056801 (2016)

L. K. Lamontagne, G. Laurita, M. W. Gaultois, M. Knight, L. Ghadbeigi, T. D. Sparks, M. E. Gruner, R.  Pentcheva, C. M. Brown and R. Seshadri,

High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO₂, Chem. Mater. 28, 3367 (2016),  DOI:10.1021/acs.chemmater.6b00447.

T. Gottschall, K. P. Skokov, D. Benke, M. E. Gruner and O. Gutfleisch,

Contradictory role of the magnetic contribution in inverse magnetocaloric Heusler materials, Phys. Rev. B 93, 184431(2016)

O. Gutfleisch, T. Gottschall, M. Fries, D. Benke, I. Radulov, K. P. Skokov, H. Wende, M. Gruner, M. Acet, P. Entel and M. Farle,

M. Wolloch, M. E. Gruner, W. Keune, P. Mohn, J. Redinger, F. Hofer, D. Suess, R. Podloucky, J. Landers, S. Salamon, F. Scheibel, D. Spoddig, R. Witte, B. Roldan Cuenya, O. Gutfeisch, M. Y. Hu, J. Zhao, T. Toellner, E. E. Alp, M. Siewert, P. Entel, R. Pentcheva, and H. Wende,

Impact of lattice dynamics on the phase stability of metamagnetic FeRh: Bulk and thin films, Phys. Rev. B, 94, 174435 (2016)

H. Wilhelm, A. O. Leonov, U. K. Rößler, P. Burger, F. Hardy, C. Meingast, M. E. Gruner, W. Schnelle, M. Schmidt and M. Baenitz,

Scaling study and thermodynamic properties of the cubic helimagnet FeGe, Phys. Rev. B 94, 144424 (2016)

M. E. Gruner, U. Eckern and R. Pentcheva,

Impact of strain-induced electronic topological transition on the thermoelectric properties of PtCoO₂ and PdCoO₂,
Phys. Rev. B 92, 235140 (2015)

D. Doennig and R. Pentcheva,

Zi-An Li, N. Fontaíña-Troitiño, A. Kovács, S. Liébana-Viñas, M. Spasova, R. E. Dunin-Borkowski, M. Müller, D. Doennig, R. Pentcheva, M. Farle and V. Salgueiriño,

Electrostatic doping as a source for robust ferromagnetism at the interface between antiferromagnetic cobalt oxides,
Sci. Rep. 5, 7997 (2015)

T. Dennenwaldt, M. Lübbe, M. Winklhofer, A. Müller, M. Döblinger, H. Sadat Nabi, M. Gandman, T. Cohen-Hyams, W. D. Kaplan, W. Moritz, R. Pentcheva and C. Scheu,

Insights into the structural, electronic and magnetic properties of Fe_2-xTixO₃/Fe₂O₃ thin films with x = 0.44 grown on Al₂O₃ (0001), J. Mat.Sci. 50, 122 (2015)

M. E. Gruner, W. Keune, B. Roldan Cuenya, C. Weis, J. Landers, S. I. Makarov, D. Klar, M. Y. Hu, E. E. Alp, J. Zhao, M. Krautz, O. Gutfleisch and H. Wende,

Element-Resolved Thermodynamics of Magnetocaloric LaFe_13−xSi_x, Phys. Rev. Lett. 114, 057202 (2015)

T. Roy, M. E. Gruner, P. Entel and A. Chakrabarti,

Effect of substitution on elastic stability, electronic structure and magnetic property of Ni-Mn based Heusler alloys: An ab initio comparison, J. Alloys Compd. 632, 822 (2015)

P. Entel, V. V. Sokolovskiy, V. D. Buchelnikov, M. Ogura, M. E. Gruner, A. Grünebohm, D. Comtesse and H. Akai,

The metamagnetic behavior and giant inverse magnetocaloric effect in Ni-Co-Mn-(Ga, In, Sn) Heusler alloys,
J. Magn. Magn. Mater. 385, 193 (2015)

V. V. Sokolovskiy, P. Entel, V. D. Buchelnikov and M. E. Gruner,

Achieving large magnetocaloric effects in Co- and Cr-substituted Heusler alloys: Predictions from first-principles and Monte Carlo studies, Phys. Rev. B 91, 220409 (2015)

D. Doennig, W.E. Pickett and R. Pentcheva

Confinement-driven transitions between topological and Mott phases in (LaNiO₃)_N/(LaAlO₃)_M(111)superlattices,
Phys. Rev. B 89, 121110(R) (2014).

E. Lesné, N. Reyren, D. Doennig, R. Mattana, F. Choueikani, H. Jaffrès,  V. Cros, F. Petroff, P. Ohresser, R. Pentcheva, A. Barthélémy, and M. Bibes,

Suppression of the Critical Thickness Threshold for Conductivity at the LaAlO_3/SrTiO₃ interface,
Nature Commun. 5, 4291 (2014).

A. X. Gray, J. Minár, L. Plucinski, M. Huijben, A. Bostwick, E. Rotenberg, S.-H. Yang, J. Braun, A. Winkelmann, G. Conti, D. Eiteneer, A. Rattanachata,, A. A. Greer, G.Rijnders, D. H. A. Blank, D. Doennig, R. Pentcheva, C. M. Schneider, H. Ebert, and C. S. Fadley,

Momentum-Resolved Electronic Structure at a Buried Interface from Soft X-ray Standing-Wave Angle-Resolved Photoemission, EPL 104 17004 (2013).

D. Doennig, W.E. Pickett and R. Pentcheva,

Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells: a three-orbital, strongly correlated generalization of graphene, Phys. Rev. Lett. 111,126804 (2013)

A.E. Gleason, C.E. Quiroga, A. Suzuki, R. Pentcheva, W.L. Mao

Symmetrization driven spin transition in ε-FeOOH at high pressure Earth and Planetary Science Lett 379, 49 (2013)

K. Otte, W. W. Schmahl, and R. Pentcheva,

DFT+U Study of Arsenate Adsorption on FeOOH Surfaces: Evidence for Competing Binding Mechanisms,
J. Phys. Chem. C 117, 15571 (2013).

Z. Novotny, N. Mulakaluri, M. Schmid, R. Pentcheva, U. Diebold, and G. S. Parkinson,

Probing the surface phase diagram of Fe₃O₄(001) towards the Fe rich limit: Evidence for progressive reduction of the surface, Phys. Rev. B 87, 195410 (2013).

T. Kendelewicz, S. Kaya, J. E. Newberg, H. Bluhm, N. Mulakaluri, W. Moritz, M. Scheffler, A. Nilsson, R. Pentcheva and G. E. Brown, Jr.

X-ray photoemission and Density Functional Theory Study of the Reaction of Water Vapor with the Fe₃O₄(001) Surface at Near-Ambient Conditions , J. Phys. Chem. C 117, 2719 (2013).

R. Arras, V. G. Ruiz, W. E. Pickett and R. Pentcheva,

Tuning the two-dimensional electron gas at the LaAlO₃/SrTiO₃(001) interface by metallic contacts,
Phys. Rev. B 85, 125404 (2012).

R. Pentcheva, R. Arras, K. Otte,V. G. Ruiz López, and W. E.Pickett, (invited review)

Termination control of electronic phases in oxide thin films and interfaces: LaAlO₃/SrTiO₃(001),
Phil. Trans. R.Soc. A 370, 4904 (2012).

N. Mulakaluri and R. Pentcheva,

Hydrogen Adsorption and Site-Selective Reduction of the Fe₃O₄(100) Surface: Insights from First Principles,
J. Phys. Chem. C 116, 16447 (2012).

K. Otte, W. W. Schmahl, and R. Pentcheva

Density functional theory study of water adsorption on FeOOH surfaces, Surf. Science 606, 1623 (2012).

A. Blanca-Romero and R. Pentcheva,

Confinement induced metal-to-insulator transition in strained LaNiO₃/LaAlO₃ superlattices
Phys. Rev. B 84, 195450 (2011).

J. W. Freeland, J. Liu, M. Kareev, B. Gray, J.W. Kim, P. Ryan, R. Pentcheva, and J. Chakhalian,

Orbital control and altered covalency in strained ultra-thin LaNiO₃/LaAlO₃ superlattices, Europhys. Lett. 96, 57004 (2011)

H. Sadat Nabi and R. Pentcheva,

Energetic stability and magnetic coupling in (Cr_1-xFe_x)₂O₃: Evidence for a ferrimagnetic ilmenite-type superlattice from first principles, Phys. Rev. B 83, 214424 (2011).

Y. Koval, F. Chowdhury, X. Jin, Y. Simsek, F. Lichtenberg, R. Pentcheva, und P. Müller,

Resistive memory switching in layered oxides: A_nB_nO_3n+2 perovskite derivatives and Bi₂Sr₂CaCu₂O_8+δ high-T_c superconductor, Phys. Status Solidi A 208, 284 (2011).

R. Pentcheva, M. Huijben, K. Otte, W.E. Pickett, J.E. Kleibeuker, J. Huijben, H. Boschker, D. Kockmann, W. Siemons, G. Koster, H.J.W. Zandvliet, G. Rijnders, D.H.A. Blank, H. Hilgenkamp, and A. Brinkman,

Parallel electron-hole bilayer conductivity from electronic interface reconstruction,
Phys. Rev. Lett., 104, 166804 (2010).

G. S. Parkinson, N. Mulakaluri, Y. Losovyj, P. Jacobson, R. Pentcheva, and U. Diebold,

Semiconductor-Half Metal Transition at the Fe₃O₄ (001) Surface upon Hydrogen Adsorption,
Phys. Rev. B 82, 125413 (2010).

R. Pentcheva and W.E. Pickett,

Electronic Phenomena at Complex Oxide Interfaces: Insights from First Principles, J. Phys.: Cond. Matter 22, 043001 (2010).

R. Ranjan, H. Sadat Nabi and R. Pentcheva,

Ab initio electronic structures of rhombohedral and cubic HgXO₃ (x=Ti, Pb), J. Phys.: Cond. Matter 22, 045504 (2010).

H. Sadat Nabi, R. Harrison and R. Pentcheva,

Magnetic coupling parameters at an oxide-oxide interface from first principles: Fe₂O₃/FeTiO₃,,
Phys. Rev. B. 81, 214432 (2010).

N. Mulakaluri, R. Pentcheva and M. Scheffler,

Coverage Dependent Adsorption Mode of Water on Fe₃O₄ (001): Insights from First Principles Calculations,
J. Phys. Chem. C 114, 11148 (2010).

H. Sadat Nabi and R. Pentcheva,

Origin of interface magnetism in Fe₂O₃/FeTiO₃ Heterostructures,

"High Performance Computing in Science and Engineering", Springer-Verlag, ISBN: 978-3-642-13871-3, p.565-574 (2010).

R. Pentcheva and W.E.Pickett,

Avoiding the polarization catastrophe in LaAlO₃ overlayers on SrTiO₃ (001) through a polar distortion ,
Phys. Rev. Lett. 102, 107602 (2009).

N. Mulakaluri, R. Pentcheva, M.Wieland, W. Moritz and M. Scheffler,

Partial dissociation of water on Fe₃O₄(001): adsorbate induced charge and orbital order,
Phys. Rev. Lett. 103, 176102 (2009).

R. Ranjan, H. Sadat Nabi and R. Pentcheva,

First principles study of magnetism in divalent Eu-perovskites, J. Appl. Phys. 105, 053905 (2009).

H. Sadat Nabi and R. Pentcheva,

Effect of strain on the stability and electronic properties of ferrimagnetic Fe_2-xTi_xO3 heterostructures from correlated band theory, J. Appl. Phys. 106, 073912 (2009).

K. Otte, R. Pentcheva, W.W. Schmahl, and J.R. Rustad,

Pressure induced structural and electronic transitions in FeOOH from first principles,Phys. Rev. B 80, 205116 (2009).

R. Pentcheva and W.E.Pickett,

Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO₃/SrTiO₃ interface,
Phys. Rev. B 78, 205106 (2008).

R. Pentcheva and H.Sadat Nabi,

Interface magnetism at Fe₂O₃/FeTiO₃ Heterostructures, Phys. Rev. B 77, 172405 (2008).

B. Hjörvarsson and R. Pentcheva,

Modern growth problems and growth techniques, Magnetic Heterostructures: Advances and Perspectives in Spinstructures and Spintransport , Series: Springer Tracts in Modern Physics, H. Zabel, S. Bader (Eds.); ISBN: 978-3-540-73461-1, p.1-44 (2008).

R. Pentcheva, J. Rundgren, W. Moritz, S. Frank, D. Schrupp, and M. Scheffler,

A Combined DFT/LEED-Approach for Complex Oxide Surface Structure Determination: Fe₃O₄ (001),  Surf. Science 602, 1299 (2008).

R. Pentcheva, N. Mulakaluri, W. E. Pickett, H.-G. Kleinhenz, W. Moritz and M. Scheffler,

Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study, "High Performance Computing in Science and Engineering", Springer-Verlag, p. 709 (2008)

M. Fonin, Yu.S. Dedkov, R. Pentcheva, U. Rüdiger and G. Güntherodt,
Spin-Resolved Photelectron Spectroscopy on Fe₃O₄ - revisited, J. Phys.: Condens. Matter 20 142201 (2008).

R. Pentcheva and W.E. Pickett,

Correlation-Driven Charge Order at the Interface of a Mott and a Band Insulator, Phys. Rev. Lett. 99, 016802 (2007).

M. Fonin, Yu.S. Dedkov, R. Pentcheva, U. Rüdiger and G. Güntherodt,
Magnetite: A Search for the Half-Metallic State, J. Phys.: Condens. Matter 19, 315217 (2007).

R. Ranjan, H. Sadat Nabi and R. Pentcheva,

Electronic Structure and Magnetism in EuTiO₃ : a first principles study, J. Phys.: Cond. Matt. 19, 406217 (2007).

R. Pentcheva and W.E. Pickett,

Charge localization or itineracy at LaAlO₃/SrTiO₃ interfaces: Hole polarons, oxygen vacancies, and mobile electrons , Phys. Rev. B 74, 035112 (2006).

R. Pentcheva,

Predicting the Stability and Properties of Mineral Surfaces at Ambient Pressures, InSiDE (Innovatives Supercomputing in Deutschland) 4, 15 (2006).

M. Fonin, R. Pentcheva, Yu. S. Dedkov, M. Sperrlich, D.V. Vyalikh, M. Scheffler, U. Rüdiger, and G. Güntherodt,

Surface Electronic Structure of Fe₃O₄(100): Evidence of a Half-Metal to Metal Transition,

Phys. Rev. B 72, 104436 (2005).

R. Pentcheva, F. Wendler, H.L. Meyerheim, W. Moritz, N. Jedrecy, and M. Scheffler,

Jahn-Teller stabilization of a "polar" metal oxide surface: Fe₃O₄ (001),  Phys. Rev. Lett. 94, 126101, (2005).

R. Pentcheva,
Ab initio Study of Microscopic Processes in the Growth of Co on Cu(001), Appl. Phys. A 80, 971 (2005).

R. Pentcheva, F. Wagner, W. Moritz, and M. Scheffler,
Structure, Energetics and Properties of Fe₃O₄(001) from First Principles, in "High Performance Computing in Science and Engineering",  s. 375, Springer Verlag, 2005.

R. Pentcheva, K. Fichthorn, M. Scheffler, T. Bernhard, R. Pfandzelter and H.Winter,

Non-Arrhenius behavior in heteroepitaxial metal growth, Phys. Rev. Lett. 90, 076101 (2003).

R. Pentcheva and M. Scheffler,

Initial adsorption of Co on Cu(001): A first-principles investigation, Phys. Rev. B 65,155418 (2002).

K.A. Fichthorn, M.L. Merrick, R. Pentcheva, and M. Scheffler,

Island nucleation in metal thin-film growth, Proc. NATO ARW on Atomistic Aspects of Epitaxial Growth (Corfu, Greece), Kluwer Academic Publ., Dodrecht 87-97 (2002).

R. Pentcheva,

Theory of adsorption, diffusion, and growth of cobalt on Cu(001), Dissertation, FU Berlin, ISBN 3-89825-184-5 (2000).

R. Pentcheva and M. Scheffle,

Stable and metastable structures of Co on Cu(001): an ab initio study, Phys. Rev. B 61, 2211 (2000).

F. Nouvertné, U. May, M. Bamming, A. Rampe, U. Korte, G. Güntherodt, R. Pentcheva and M. Scheffler,

Atomic exchange processes and bimodal initial growth of Co on Cu(001), Phys. Rev B 60,14382 (1999).

R. Pentcheva and S. Blügel,

Ab-initio Rechnungen zum Zusammenhang zwischen Magnetismus und Struktur ultradünner magnetischer Filme, Jülich Reports 3364 (1997).