Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F24%3A00137916" target="_blank" >RIV/00216224:14310/24:00137916 - isvavai.cz</a>
Result on the web
<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.205131" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.205131</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.109.205131" target="_blank" >10.1103/PhysRevB.109.205131</a>
Alternative languages
Result language
angličtina
Original language name
Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy
Original language description
Perovskites with Bi or Pb on the A site host a number of interesting and yet to be understood phenomena such as negative thermal expansion in BiNiO3. We employ hard x-ray photoemission spectroscopy of Ni 2p core level as well as valence band to probe the electronic structure of BiNiO 3 and PbNiO3. The experimental results supported by theoretical calculations using dynamical mean-field theory reveal essentially identical electronic structure of the Ni-O subsystem typical of Ni2+ charge-transfer insulators. The two materials are distinguished by filling of the Bi(Pb)-O antibonding states in the vicinity of the Fermi level, which is responsible for the Bi disproportionation in BiNiO3 at ambient pressure and absence of similar behavior in PbNiO3. The present experiments provide evidence for this conclusion by revealing the presence/absence of Bi/Pb 6s states at the top of the valence band in the two materials.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Quantum materials for applications in sustainable technologies</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
109
Issue of the periodical within the volume
20
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
205131
UT code for WoS article
001240442700010
EID of the result in the Scopus database
2-s2.0-85193036714