Blöchl, Peter

[["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","5"],["dc.bibliographiccitation.journal","Physical Review Applied"],["dc.bibliographiccitation.volume","14"],["dc.contributor.author","Kressdorf, B."],["dc.contributor.author","Meyer, T."],["dc.contributor.author","Belenchuk, A."],["dc.contributor.author","Shapoval, O."],["dc.contributor.author","ten Brink, M."],["dc.contributor.author","Melles, S."],["dc.contributor.author","Ross, U."],["dc.contributor.author","Hoffmann, J."],["dc.contributor.author","Moshnyaga, Vasily"],["dc.contributor.author","Seibt, Michael"],["dc.contributor.author","Blöchl, Peter"],["dc.contributor.author","Jooss, Christian"],["dc.date.accessioned","2021-04-14T08:31:35Z"],["dc.date.available","2021-04-14T08:31:35Z"],["dc.date.issued","2020"],["dc.description.abstract","Harvesting of solar energy by hot carriers from optically induced intraband transitions offers new perspectives for photovoltaic energy conversion. Clearly, mechanisms slowing down hot-carrier thermalization constitute a fundamental core of such pathways of third-generation photovoltaics. The intriguing concept of hot polarons stabilized by long-range phonon correlations in charge-ordered strongly correlated three-dimensional metal-oxide perovskite films has emerged and been demonstrated for Pr0.7Ca0.3MnO3 at low temperature. In this work, a tailored approach to extending such processes to room temperature is presented. It consists of a specially designed epitaxial growth of two-dimensional Ruddlesden-Popper Pr0.5Ca1.5MnO4 films on Nb:SrTiO3 with a charge-ordering transition at TCO ∼ 320 K. This opens the route to a different phonon-bottleneck strategy of slowing down carrier relaxation by strong coupling of electrons to cooperative lattice modes."],["dc.identifier.doi","10.1103/PhysRevApplied.14.054006"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/83645"],["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 A | A02 Verständnis und Manipulation von Dissipationskanälen des Energietransports"],["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 Z | Z02 Hochauflösende Charakterisierung von Grenzflächen"],["dc.relation.eissn","2331-7019"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.rights","CC BY 4.0"],["dc.title","Room-Temperature Hot-Polaron Photovoltaics in the Charge-Ordered State of a Layered Perovskite Oxide Heterojunction"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"],["local.message.claim","2022-01-20T08:58:36.159+0000|||rp114901|||submit_approve|||dc_contributor_author|||None"]]

[["dc.bibliographiccitation.artnumber","035145"],["dc.bibliographiccitation.issue","3"],["dc.bibliographiccitation.journal","Physical Review. B"],["dc.bibliographiccitation.volume","92"],["dc.contributor.author","Mildner, Stephanie"],["dc.contributor.author","Hoffmann, J."],["dc.contributor.author","Bloechl, Peter E."],["dc.contributor.author","Techert, Simone"],["dc.contributor.author","Jooss, Christian"],["dc.date.accessioned","2018-11-07T09:54:30Z"],["dc.date.available","2018-11-07T09:54:30Z"],["dc.date.issued","2015"],["dc.description.abstract","Small polaron optical properties are studied comprehensively in thin film samples of the narrow bandwidth manganite Pr1-xCaxMnO3 by optical absorption spectroscopy as a function of doping and temperature. A broad near infrared double-peak absorption band in the optical conductivity spectras is observed and interpreted in the framework of photon-assisted small polaron intersite hopping and on-site Jahn-Teller excitation. Application of quasiclassical small polaron theory to both transitions allows an approximate determination of polaron specific parameters like the polaron binding energy, the characteristic phonon energy, as well as the Jahn-Teller splitting energy as a function of temperature and doping. Based on electronic structure calculations, we consider the impact of the hybridization of O 2p and Mn 3d electronic states on the Jahn-Teller splitting and the polaron properties. The interplay between hopping and Jahn-Teller excitations is discussed in the alternative pictures of mixed valence Mn3+/Mn4+ sites (Jahn-Teller polaron) and equivalent Mn(3+x)+ sites (Zener polaron). We give a careful evaluation of the estimated polaron parameters and discuss the limitations of small polaron quasiclassical theory for application to narrow bandwidth manganites."],["dc.description.sponsorship","DFG [SFB 602, A20, SFB 1073, B02, C02]"],["dc.identifier.doi","10.1103/PhysRevB.92.035145"],["dc.identifier.isi","000358436600005"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/36548"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["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 C | C02 In situ hochauflösende Untersuchung des aktiven Zustands bei der photo- und elektrochemischen Wasserspaltung"],["dc.relation.issn","1550-235X"],["dc.relation.issn","1098-0121"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.relation.orgunit","Institut für Röntgenphysik"],["dc.relation.workinggroup","RG Techert (Structural Dynamics in Chemical Systems)"],["dc.title","Temperature- and doping-dependent optical absorption in the small-polaron system Pr1-xCaxMnO3"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original_ja"],["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"]]

[["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Communications Materials"],["dc.bibliographiccitation.volume","1"],["dc.contributor.author","Lole, Gaurav"],["dc.contributor.author","Roddatis, Vladimir"],["dc.contributor.author","Ross, Ulrich"],["dc.contributor.author","Risch, Marcel"],["dc.contributor.author","Meyer, Tobias"],["dc.contributor.author","Rump, Lukas"],["dc.contributor.author","Geppert, Janis"],["dc.contributor.author","Wartner, Garlef"],["dc.contributor.author","Blöchl, Peter"],["dc.contributor.author","Jooss, Christian"],["dc.date.accessioned","2021-10-15T10:20:45Z"],["dc.date.available","2021-10-15T10:20:45Z"],["dc.date.issued","2020"],["dc.description.abstract","Real time in-situ microscopy imaging of surface structure and atom dynamics of heterogeneous catalysts is an important step for understanding reaction mechanisms. Here, using in-situ environmental transmission electron microscopy (ETEM), we directly visualize surface atom dynamics at manganite perovskite catalyst surfaces for oxygen evolution reaction (OER), which are ≥20 times faster in water than in other ambients. Comparing (001) surfaces of La0.6Sr0.4MnO3 and Pr0.67Ca0.33MnO3 with similar initial manganese valence state and OER activity, but very different OER stability, allows us to distinguish between reversible surface adatom dynamics and irreversible surface defect chemical reactions. We observe enhanced reversible manganese adatom dynamics due to partial solvation in adsorbed water for the highly active and stable La0.6Sr0.4MnO3 system, suggesting that aspects of homogeneous catalysis must be included for understanding the OER mechanism in heterogeneous catalysis."],["dc.identifier.doi","10.1038/s43246-020-00070-6"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/90946"],["dc.language.iso","en"],["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 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","2662-4443"],["dc.relation.orgunit","Institut für Materialphysik"],["dc.rights","CC BY 4.0"],["dc.title","Dynamic observation of manganese adatom mobility at perovskite oxide catalyst interfaces with water"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]