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2025
S. Teng, A. Dimou, B. Udofia et al. Control of ferroelectric domain wall dynamics by point defects: Insights from ab initio based simulations. Journal of Applied Physics, 137, 154103, (2025)
S. Teng, C. Anabaraonye, A. Grünebohm. BaTiO₃–SrTiO₃ composites: a microscopic study on paraelectric cubic inclusions. Phase Transitions, 98, 45-54, (2025)
2024
L. Hsu, F. Wendler, A. Grünebohm. Electric field direction dependence of the electrocaloric effect in BaTiO₃. Physical Review Materials, 8, 094408, (2024)
W. Luo, C. Gasper, S. Zhang et al. Non-basal plasticity in the μ-phase at room temperature. Acta Materialia, 277, 120202, (2024)
S. Kunzmann, T. Hammerschmidt, G. Schierning et al. Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb. Physical Review Materials, 8, 033603, (2024)
R. Khachaturyan, Y. Yang, S. Teng et al. Microscopic insights on field induced switching and domain wall motion in orthorhombic ferroelectrics. Physical Review Materials, 8, 024403, (2024)
2023
L. Huo, R. Schiedung, H. Li et al. Multi-phase field modeling and simulation of magnetically driven grain boundary migration in SmCo polycrystals. Journal of Physics D: Applied Physics, 56, 465003, (2023)
M. Moaddeli, M. Kanani, A. Grünebohm. Electronic and structural properties of mixed-cation hybrid perovskites studied using an efficient spin-orbit included DFT-1/2 approach. Physical Chemistry Chemical Physics, 25, 25511-25525, (2023)
A. Grünebohm, A. Hütten, A. E. Böhmer et al. A unifying perspective of common motifs that occur across disparate classes of materials harboring displacive phase transitions. Advanced Energy Materials, 13, 2300754, (2023)
M. Zheng, C. Zhao, X. Yan et al. Metal particle composite hardening in Ba_0.85C_a0.15Ti_0.90Zr_0.10O₃ piezoceramics. Advanced Functional Materials, 33, 2301356, (2023)
A. Grünebohm, S. Teng, M. Marathe. Influence of domain walls and defects on the electrocaloric effect. Journal of Physics: Energy, 5, 034010, (2023)
N. Ölcer. Ab initio simulation of solid solutions of BaTiO₃: the role of Ti substitution. Master Thesis, Ruhr-Universität Bochum, (2023)
2022
A. Klomp, R. Khachaturyan, T. Wallis et al. Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling. Physical Review Materials, 6, 104411, (2022)
A. Dimou, P. Hirel, A. Grünebohm. Pinning of domain walls by strontium layer in BaTiO₃ perovskite: an atomic-scale study. Physical Review B, 106, 094104, (2022)
R. Khachaturyan, A. Dimou, A. Grünebohm. Domain wall acceleration by ultrafast field application: an ab initio‐based molecular dynamics study. Physica status solidi (RRL) – Rapid Research Letters, 16, 2200038, (2022)
C. Anabaraonye. Ferroelectric composites: The impact of morphology on phase stability. Master Thesis, Ruhr-Universität, (2022)
A. Grünebohm, M. Marathe, R. Khachaturyan et al. Interplay of domain structure and phase transitions: theory, experiment and functionality. Journal of Physics: Condensed Matter, 34, 073002, (2022)
M. Schröter, H. C. Herper, A. Grünebohm. Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution. Journal of Physics D: Applied Physics, 55, 025002, (2022)
2021
Y. A. Genenko, M.-H. Zhang, I. S. Vorotiahin et al. Multistep stochastic mechanism of polarization reversal in orthorhombic ferroelectrics. Physical Review B, 104, 184106, (2021)
2020
A. Grünebohm, M. Marathe. Impact of domains on the orthorhombic-tetragonal transition of BaTiO3: an ab initio study. Physical Review Materials, 4, 114417, (2020)
A. Biswas. Ab initio simulations of (Ba, Sr)TiO3 solid solutions. Master Thesis, Ruhr-Universität Bochum, (2020)
Y. A. Genenko, R. Khachaturyan, I. S. Vorotiahin et al. Multistep stochastic mechanism of polarization reversal in rhombohedral ferroelectrics. Physical Review B, 102, 064107, (2020)
A. S. Everhardt, T. Denneulin, A. Grünebohm et al. Temperature-independent giant dielectric response in transitional BaTiO₃ thin films. Applied Physics Reviews, 7, 011402, (2020)