Blöchl, Peter

[["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","Physical Review. B"],["dc.bibliographiccitation.volume","97"],["dc.contributor.author","Köhler, Thomas"],["dc.contributor.author","Rajpurohit, Sangeeta"],["dc.contributor.author","Schumann, Ole"],["dc.contributor.author","Paeckel, Sebastian"],["dc.contributor.author","Biebl, Fabian R. A."],["dc.contributor.author","Sotoudeh, Mohsen"],["dc.contributor.author","Kramer, Stephan C."],["dc.contributor.author","Blöchl, Peter E."],["dc.contributor.author","Kehrein, Stefan K."],["dc.contributor.author","Manmana, Salvatore R."],["dc.date.accessioned","2020-12-10T18:25:06Z"],["dc.date.available","2020-12-10T18:25:06Z"],["dc.date.issued","2018"],["dc.description.abstract","We investigate the evolution of a photoexcitation in correlated materials over a wide range of time scales. The system studied is a one-dimensional model of a manganite with correlated electron, spin, orbital, and lattice degrees of freedom, which we relate to the three-dimensional material Pr$_{1-x}$Ca$_{x}$MnO$_3$. The ground-state phases for the entire composition range are determined and rationalized by a coarse-grained polaron model. At half-doping a pattern of antiferromagnetically coupled Zener polarons is realized. Using time-dependent density-matrix renormalization group (tDMRG), we treat the electronic quantum dynamics following the excitation. The emergence of quasiparticles is addressed, and the relaxation of the nonequilibrium quasiparticle distribution is investigated via a linearized quantum-Boltzmann equation. Our approach shows that the magnetic microstructure caused by the Zener polarons leads to an increase of the relaxation times of the excitation."],["dc.identifier.arxiv","1610.07246v4"],["dc.identifier.doi","10.1103/PhysRevB.97.235120"],["dc.identifier.eissn","2469-9969"],["dc.identifier.issn","2469-9950"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/75574"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area B | B03 Relaxation, Thermalisierung, Transport und Kondensation in hochangeregten Festkörpern"],["dc.relation","SFB 1073 | Topical Area C | C03 Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse"],["dc.relation.issn","2469-9950"],["dc.relation.issn","2469-9969"],["dc.title","Relaxation of photoexcitations in polaron-induced magnetic microstructures"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Physical Review B"],["dc.bibliographiccitation.volume","102"],["dc.contributor.author","Rajpurohit, Sangeeta"],["dc.contributor.author","Jooss, Christian"],["dc.contributor.author","Blöchl, Peter E."],["dc.date.accessioned","2021-04-14T08:24:12Z"],["dc.date.available","2021-04-14T08:24:12Z"],["dc.date.issued","2020"],["dc.description.abstract","The dynamics of electrons, spins, and phonons induced by optical femtosecond pulses has been simulated for the polaronic crystal Pr1/2Ca1/2MnO3. The model used for the simulation has been derived from first-principles calculations. The simulations reproduce the experimentally observed melting of charge and orbital order with increasing fluence. The loss of charge order in the high-fluence regime induces a transition to a ferromagnetic metal. At low fluence, the dynamics is deterministic and coherent phonons are created by the repopulation of electronic orbitals, which are strongly coupled to the phonon degrees of freedom. In contrast to the low-fluence regime, the magnetic transitions occurring at higher fluence can be attributed to a quasithermal transition of a cold-plasma-like state with hot electrons and cold phonons and spins. The findings can be rationalized in a more complete picture of the electronic structure that goes beyond the simple ionic picture of charge order."],["dc.identifier.doi","10.1103/PhysRevB.102.014302"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/81203"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-399"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area B | B02 Photonen-getriebener Energietransfer über Grenzflächen zwischen Materialien mit starken Korrelationen"],["dc.relation","SFB 1073 | Topical Area B | B03 Relaxation, Thermalisierung, Transport und Kondensation in hochangeregten Festkörpern"],["dc.relation","SFB 1073 | Topical Area C | C03 Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse"],["dc.relation.eissn","2469-9969"],["dc.relation.issn","2469-9950"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.rights","CC BY 4.0"],["dc.title","Evolution of the magnetic and polaronic order of Pr1/2Ca1/2MnO3 following an ultrashort light pulse"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.issue","17"],["dc.bibliographiccitation.journal","Physical Review B"],["dc.bibliographiccitation.volume","102"],["dc.contributor.author","Rajpurohit, Sangeeta"],["dc.contributor.author","Tan, Liang Z."],["dc.contributor.author","Jooss, Christian"],["dc.contributor.author","Blöchl, Peter E."],["dc.date.accessioned","2021-04-14T08:24:41Z"],["dc.date.available","2021-04-14T08:24:41Z"],["dc.date.issued","2020"],["dc.identifier.doi","10.1103/PhysRevB.102.174430"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/81385"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-399"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area B | B02 Photonen-getriebener Energietransfer über Grenzflächen zwischen Materialien mit starken Korrelationen"],["dc.relation","SFB 1073 | Topical Area B | B03 Relaxation, Thermalisierung, Transport und Kondensation in hochangeregten Festkörpern"],["dc.relation","SFB 1073 | Topical Area C | C03 Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse"],["dc.relation.eissn","2469-9969"],["dc.relation.issn","2469-9950"],["dc.title","Ultrafast spin-nematic and ferroelectric phase transitions induced by femtosecond light pulses"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","235150"],["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","Physical Review B"],["dc.bibliographiccitation.volume","95"],["dc.contributor.author","Sotoudeh, Mohsen"],["dc.contributor.author","Rajpurohit, Sangeeta"],["dc.contributor.author","Blöchl, Peter"],["dc.contributor.author","Mierwaldt, Daniel"],["dc.contributor.author","Norpoth, Jonas"],["dc.contributor.author","Roddatis, Vladimir"],["dc.contributor.author","Mildner, Stephanie"],["dc.contributor.author","Kressdorf, Birte"],["dc.contributor.author","Ifland, Benedikt"],["dc.contributor.author","Jooss, Christian"],["dc.date.accessioned","2020-12-10T18:25:03Z"],["dc.date.available","2020-12-10T18:25:03Z"],["dc.date.issued","2017"],["dc.description.abstract","The electronic structure of Pr1-xCaxMnO3 has been investigated using a combination of first-principles calculations, x-ray photoelectron spectroscopy (XPS), x-ray absorption spectroscopy (XAS), electron-energy loss spectroscopy (EELS), and optical absorption. The full range of compositions, x = 0,1/2,1, and a variety of magnetic orders have been covered. Jahn-Teller as well as Zener polaron orders are considered. The free parameters of the local hybrid density functionals used in this study have been determined by comparison with measured XPS spectra. A model Hamiltonian, valid for the entire doping range, has been extracted. A simple local-orbital picture of the electronic structure for the interpretation of experimental spectra is provided. The comparison of theoretical calculations and different experimental spectra provide a detailed and consistent picture of the electronic structure. The large variations of measured optical absorption spectra are traced back to the coexistence of magnetic orders (respectively, to the occupation of local orbitals). A consistent treatment of the Coulomb interaction indicates a partial cancellation of Coulomb parameters and supports the dominance of the electron-phonon coupling."],["dc.identifier.doi","10.1103/PhysRevB.95.235150"],["dc.identifier.eissn","2469-9969"],["dc.identifier.isi","000404468000001"],["dc.identifier.issn","2469-9950"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/75564"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","PUB_WoS_Import"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area B | B02 Photonen-getriebener Energietransfer über Grenzflächen zwischen Materialien mit starken Korrelationen"],["dc.relation","SFB 1073 | Topical Area B | B03 Relaxation, Thermalisierung, Transport und Kondensation in hochangeregten Festkörpern"],["dc.relation","SFB 1073 | Topical Area C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation","SFB 1073 | Topical Area C | C03 Vom Elektronentransfer zur chemischen Energiespeicherung: ab-initio Untersuchungen korrelierter Prozesse"],["dc.relation.issn","2469-9969"],["dc.relation.issn","2469-9950"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.title","Electronic structure of Pr1-xCaxMnO3"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]