Prof. Dr. Peter Blöchl

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

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