Publikationsliste Grünebohm
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Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted NbIn: Physical Review Materials Jg. 8 (2024) Nr. 3, 033603Online Volltext: dx.doi.org/ (Open Access)
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A Unifying Perspective of Common Motifs That Occur across Disparate Classes of Materials Harboring Displacive Phase TransitionsIn: Advanced Energy Materials Jg. 13 (2023) Nr. 30, 2300754Online Volltext: dx.doi.org/ (Open Access)
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Interplay of domain structure and phase transitions : theory, experiment and functionalityIn: Journal of Physics: Condensed Matter Jg. 34 (2022) Nr. 7, 073002Online Volltext: dx.doi.org/
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Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitutionIn: Journal of Physics D: Applied Physics Jg. 55 (2022) Nr. 2, 025002Online Volltext: dx.doi.org/ (Open Access)
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Tuning the Magnetic Anisotropy of NiPtMnGa by Substitution and Epitaxial StrainIn: IEEE Transactions on Magnetics (T-MAG) Jg. 55 (2019) Nr. 2, 2100804Online Volltext: dx.doi.org/
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Optimizing the electrocaloric effect by ab initio based simulations : The benefits of substitutionIn: Refrigeration Science and Technology / 8th International Conference on Caloric Cooling, Thermag 2018; Darmstadt; Germany; 16 - 18 September 2018 2018, S. 44 - 49Online Volltext: dx.doi.org/
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Tailoring the Electrocaloric Effect by Internal Bias Fields and Field ProtocolsIn: Physical Review Applied Jg. 10 (2018) Nr. 2, S. 024048Online Volltext: dx.doi.org/ (Open Access)
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Origins of the Inverse Electrocaloric EffectIn: Energy Technology Jg. 6 (2018) Nr. 8, S. 1491 - 1511Online Volltext: dx.doi.org/ (Open Access)
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The Impact of Hysteresis on the Electrocaloric Effect at First-Order Phase TransitionsIn: Physica Status Solidi (B): Basic Solid State Physics Jg. 255 (2018) Nr. 2, Special Issue: Hysteresis in Magnetocaloric, Electrocaloric and Elastocaloric Refrigeration, S. 1700308Online Volltext: dx.doi.org/ (Open Access)
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Electrocaloric effect in BaTiO3 at all three ferroelectric transitions : Anisotropy and inverse caloric effectsIn: Physical Review B Jg. 96 (2017) Nr. 1, S. 014102Online Volltext: dx.doi.org/ (Open Access)
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Influence of defects on ferroelectric and electrocaloric properties of BaTiO3In: Physical Review B Jg. 93 (2016) Nr. 13, S. 134101Online Volltext: dx.doi.org/ (Open Access)
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Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3 with a Semi-Empirical Effective HamiltonianIn: Journal of the Physical Society of Japan (JPSJ) Jg. 85 (2016) Nr. 11, S. 114714Online Volltext: dx.doi.org/ (Open Access)
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Tuning the caloric response of BaTiO3 by tensile epitaxial strainIn: EPL (Europhysics Letters) Jg. 115 (2016) Nr. 4, S. 47002Online Volltext: dx.doi.org/ (Open Access)
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On the rich magnetic phase diagram of (Ni, Co)–Mn–Sn Heusler alloysIn: Journal of Physics D: Applied Physics Jg. 49 (2016) Nr. 39, S. 395001Online Volltext: dx.doi.org/ (Open Access)
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First-principles-based calculation of the electrocaloric effect in BaTiO3 : a comparison of direct and indirect methodsIn: Physical Review B Jg. 93 (2016) Nr. 5, S. 054110Online Volltext: dx.doi.org/ (Open Access)
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Positive and negative electrocaloric effect in BaTiO3 in the presence of defect dipolesIn: Physical Review B Jg. 94 (2016) Nr. 9, S. 094113Online Volltext: dx.doi.org/ (Open Access)
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Large magnetocaloric effects in magnetic intermetallics : First-principles and Monte Carlo studiesIn: MATEC Web of Conferences Jg. 33 (2015) Nr. ESOMAT 2015 – 10th European Symposium on Martensitic Transformations, S. 02001Online Volltext: dx.doi.org/ (Open Access)
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Predictions of a Large Magnetocaloric Effect in Co- and Cr-Substituted Heusler Alloys Using First-Principles and Monte Carlo ApproachesIn: Physics Procedia Jg. 75 (2015) S. 1381 - 1388Online Volltext: dx.doi.org/ (Open Access)
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Ab initio phase diagram of BaTiO3 under epitaxial strain revisitedIn: Applied Physics Letters (APL) Jg. 107 (2015) Nr. 10, S. 102901Online Volltext: dx.doi.org/ (Open Access)
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The metamagnetic behavior and giant inverse magnetocaloric effect in Ni–Co–Mn–(Ga, In, Sn) Heusler alloysIn: Journal of Magnetism and Magnetic Materials Jg. 385 (2015) S. 193 - 197Online Volltext: dx.doi.org/
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Ab initio and Monte Carlo approaches for the magnetocaloric effect in Co- and in-doped Ni-Mn-Ga Heusler alloysIn: Entropy Jg. 16 (2014) Nr. 9, S. 4992 - 5019Online Volltext: dx.doi.org/ (Open Access)
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First-principles calculation of the instability leading to giant inverse magnetocaloric effectsIn: Physical Review B: Condensed matter and materials physics Jg. 89 (2014) Nr. 18, S. 184403Online Volltext: dx.doi.org/ (Open Access)
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Optimizing the magnetocaloric effect in Ni-Mn-Sn by substitution : A first-principles studyIn: IEEE Transactions on Magnetics (T-MAG) Jg. 50 (2014) Nr. 11, 2506004Online Volltext: dx.doi.org/
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First-principles investigation of incipient ferroelectric trends of rutile TiO2 in bulk and at the (110) surfaceIn: Physical Review B: Condensed matter and materials physics Jg. 87 (2013) Nr. 5, S. 054110Online Volltext: dx.doi.org/
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Ab initio study of the electronic and magnetic structure of the TiO2 rutile (110)/Fe interfaceIn: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 15, S. 155401-1 - 155401-12Online Volltext: dx.doi.org/
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Reply to "comment on 'First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2' "In: Physical Review B: Condensed matter and materials physics Jg. 88 (2013) Nr. 13, S. 136102Online Volltext: dx.doi.org/
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An ab initio study of multicomponent polar oxide based systems in combination with ferromaganetic metalsIn: Physik München (2013) XVII, 191 S.
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Simulation of cluster sintering, dipolar chain formation, and ferroelectric nanoparticulate systemsIn: Nanoparticles from the gas phase: Formation, structure, properties / Lorke, Axel (Hrsg.) 2012, S. 139 - 158Online Volltext: dx.doi.org/
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Domain structure in the tetragonal phase of BaTiO3 : from bulk to nanoparticlesIn: Ferroelectrics Jg. 426 (2012) Nr. 1, S. 21 - 30Online Volltext: dx.doi.org/
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First-Principles study of the influence of (110) strain on the ferroelectric trends of TiO2In: Ferroelectrics Jg. 429 (2012) Nr. 1, S. 31 - 42Online Volltext: dx.doi.org/
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First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2In: Physical Review B: Condensed matter and materials physics Jg. 84 (2011) Nr. 13, S. 132105Online Volltext: dx.doi.org/
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A comparative study of (Fe, Fe3Si)/GaAs and Heusler/MgO for spintronics applicationsIn: Journal of Physics: Conference Series (JPCONF) Jg. 200 (2010) Nr. 7, S. 072038Online Volltext: dx.doi.org/
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Ab initio study of the interface properties of Fe/GaAs(110)In: Physical Review B: Condensed matter and materials physics Jg. 80 (2009) Nr. 6, S. 064417Online Volltext: dx.doi.org/
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Suitability of Fe/GaAs and (Co,Ni)Mn(Ga,Ge) for Spintronics Applications : An Ab Initio StudyIn: IEEE Transactions on Magnetics (T-MAG) Jg. 45 (2009) Nr. 10, S. 3965 - 3968Online Volltext: dx.doi.org/
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Upstairs walking speed distributions on a long stairwayIn: Safety science Jg. 46 (2008) Nr. 1, S. 72 - 78Online Volltext: dx.doi.org/
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Experimental study of pedestrian flow through a bottleneckIn: Journal of Statistical Mechanics: Theory and Experiment (2006) Nr. 10,Online Volltext: dx.doi.org/ Online Volltext
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Experimental study of pedestrian counterflow in a corridorIn: Journal of Statistical Mechanics: Theory and Experiment (2006) Nr. 10,Online Volltext: dx.doi.org/ Online Volltext