Prof. Dr. Peter Blöchl

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unigoe
 

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  • 2020 | Preprint
    ​ ​A criticial view on e$ occupancy as a descriptor for oxygen evolution catalytic activity in LiMn$ nanoparticles​
    Schönewald, F.; Eckhoff, M.; Baumung, M.; Risch, M. ; Blöchl, P. E. ; Behler, J.  & Volkert, C. A. ​ (2020)
    ​Details  arXiv 
  • 2020 | Journal Article | Research Paper
    ​ ​Hybrid density functional theory benchmark study on lithium manganese oxides​
    Eckhoff, M.; Blöchl, P. E.   & Behler, J. ​ (2020) 
    Physical Review B, 101(20).​ DOI: https://doi.org/10.1103/PhysRevB.101.205113 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels​
    Eckhoff, M.; Lausch, K. N.; Blöchl, P. E.   & Behler, J. ​ (2020) 
    The Journal of Chemical Physics, 153(16) pp. 164107​.​ DOI: https://doi.org/10.1063/5.0021452 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential​
    Eckhoff, M.; Schönewald, F.; Risch, M. ; Volkert, C. A. ; Blöchl, P. E.   & Behler, J. ​ (2020) 
    Physical Review B, 102(17).​ DOI: https://doi.org/10.1103/PhysRevB.102.174102 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Ultrafast spin-nematic and ferroelectric phase transitions induced by femtosecond light pulses​
    Rajpurohit, S.; Tan, L. Z.; Jooss, C.   & Blöchl, P. E. ​ (2020) 
    Physical Review B, 102(17).​ DOI: https://doi.org/10.1103/PhysRevB.102.174430 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes​
    Römer, A.; Hasecke, L.; Blöchl, P.   & Mata, R. A. ​ (2020) 
    Molecules, 25(21) pp. 5176​.​ DOI: https://doi.org/10.3390/molecules25215176 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​Evolution of the magnetic and polaronic order of Pr1/2Ca1/2MnO3 following an ultrashort light pulse​
    Rajpurohit, S.; Jooss, C.   & Blöchl, P. E. ​ (2020) 
    Physical Review B, 102(1).​ DOI: https://doi.org/10.1103/PhysRevB.102.014302 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​Room-Temperature Hot-Polaron Photovoltaics in the Charge-Ordered State of a Layered Perovskite Oxide Heterojunction​
    Kressdorf, B. ; Meyer, T. ; Belenchuk, A.; Shapoval, O.; ten Brink, M.; Melles, S. & Ross, U. et al.​ (2020) 
    Physical Review Applied, 14(5).​ DOI: https://doi.org/10.1103/PhysRevApplied.14.054006 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​Dynamic observation of manganese adatom mobility at perovskite oxide catalyst interfaces with water​
    Lole, G.; Roddatis, V.; Ross, U.; Risch, M. ; Meyer, T. ; Rump, L. & Geppert, J. et al.​ (2020) 
    Communications Materials, 1(1).​ DOI: https://doi.org/10.1038/s43246-020-00070-6 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Relaxation of photoexcitations in polaron-induced magnetic microstructures​
    Köhler, T.; Rajpurohit, S.; Schumann, O.; Paeckel, S.; Biebl, F. R. A.; Sotoudeh, M. & Kramer, S. C. et al.​ (2018) 
    Physical Review. B, 97(23).​ DOI: https://doi.org/10.1103/PhysRevB.97.235120 
    ​Details  DOI  arXiv 
  • 2017 | Journal Article | Research Paper
    ​ ​Electronic structure of Pr1-xCaxMnO3​
    Sotoudeh, M.; Rajpurohit, S.; Blöchl, P. ; Mierwaldt, D. ; Norpoth, J.; Roddatis, V.   & Mildner, S.  et al.​ (2017) 
    Physical Review B, 95(23) art. 235150​.​ DOI: https://doi.org/10.1103/PhysRevB.95.235150 
    ​Details  DOI  WoS 
  • 2017 | Review | 
    ​ ​Reduced density-matrix functionals from many-particle theory​
    Schade, R.; Kamil, E.& Blochl, P. ​ (2017)
    The European Physical Journal Special Topics, 226​(11) pp. 2677​-2692​.​
    Heidelberg​: Springer. DOI: https://doi.org/10.1140/epjst/e2017-70046-0 
    ​Details  DOI  WoS 
  • 2016 | Journal Article | Research Paper
    ​ ​Beam matching: A method to study phonon transport through interfaces and multilayer structures​
    Basu, D. & Bloechl, P. E. ​ (2016) 
    physica status solidi (a), 213(3) pp. 635​-648​.​ DOI: https://doi.org/10.1002/pssa.201532488 
    ​Details  DOI  WoS  arXiv 
  • 2015 | Journal Article | Research Paper
    ​ ​Temperature- and doping-dependent optical absorption in the small-polaron system Pr1-xCaxMnO3​
    Mildner, S. ; Hoffmann, J.; Bloechl, P. E. ; Techert, S.   & Jooss, C. ​ (2015) 
    Physical Review. B, 92(3) art. 035145​.​ DOI: https://doi.org/10.1103/PhysRevB.92.035145 
    ​Details  DOI  WoS 

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