Mechanism of intermetallic charge transfer and bond
disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray
photoemission spectroscopy

J 2024

Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy

YAMAGUCHI, Tatsuya; Mizuki FURO; Yuki SAKAI; Takumi NISHIKUBO; Hajime HOJO et al.

Základní údaje

Originální název

Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy

Autoři

Vydání

Physical Review B, American Physical Society, 2024, 2469-9950

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 3.700

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/24:00137916

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Metal-insulator transition; Perovskites; Transition metal oxides; Density functional theory; Dynamical mean field theory; Hard x-ray photoelectron spectroscopy; Photoemission spectroscopy

Štítky

14312020, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 10. 12. 2024 15:07, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

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.

Návaznosti

EH22_008/0004572, projekt VaV

Název: Kvantové materiály pro aplikace v udržitelných technologiích

Citovat

YAMAGUCHI, Tatsuya; Mizuki FURO; Yuki SAKAI; Takumi NISHIKUBO; Hajime HOJO; Masaki AZUMA; Kengo OKA; Daisuke MORI; Yoshiyuki INAGUMA; Masaichiro MIZUMAKI; Kento YAMAMOTO; Jan KUNEŠ; Takashi MIZOKAWA a Atsushi HARIKI. Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy. Physical Review B. American Physical Society, 2024, roč. 109, č. 20, s. 205131-205136. ISSN 2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.109.205131.

@article{2458780,
   author = {Yamaguchi, Tatsuya and Furo, Mizuki and Sakai, Yuki and Nishikubo, Takumi and Hojo, Hajime and Azuma, Masaki and Oka, Kengo and Mori, Daisuke and Inaguma, Yoshiyuki and Mizumaki, Masaichiro and Yamamoto, Kento and Kuneš, Jan and Mizokawa, Takashi and Hariki, Atsushi},
   article_number = {20},
   doi = {https://doi.org/10.1103/PhysRevB.109.205131},
   keywords = {Metal-insulator transition; Perovskites; Transition metal oxides; Density functional theory; Dynamical mean field theory; Hard x-ray photoelectron spectroscopy; Photoemission spectroscopy},
   language = {eng},
   issn = {2469-9950},
   journal = {Physical Review B},
   title = {Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy},
   url = {https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.205131},
   volume = {109},
   year = {2024}
}

TY  - JOUR
ID  - 2458780
AU  - Yamaguchi, Tatsuya - Furo, Mizuki - Sakai, Yuki - Nishikubo, Takumi - Hojo, Hajime - Azuma, Masaki - Oka, Kengo - Mori, Daisuke - Inaguma, Yoshiyuki - Mizumaki, Masaichiro - Yamamoto, Kento - Kuneš, Jan - Mizokawa, Takashi - Hariki, Atsushi
PY  - 2024
TI  - Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy
JF  - Physical Review B
VL  - 109
IS  - 20
SP  - 205131
EP  - 205131
PB  - American Physical Society
SN  - 24699950
KW  - Metal-insulator transition
KW  - Perovskites
KW  - Transition metal oxides
KW  - Density functional theory
KW  - Dynamical mean field theory
KW  - Hard x-ray photoelectron spectroscopy
KW  - Photoemission spectroscopy
UR  - https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.205131
N2  - 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.
ER  -

YAMAGUCHI, Tatsuya; Mizuki FURO; Yuki SAKAI; Takumi NISHIKUBO; Hajime HOJO; Masaki AZUMA; Kengo OKA; Daisuke MORI; Yoshiyuki INAGUMA; Masaichiro MIZUMAKI; Kento YAMAMOTO; Jan KUNEŠ; Takashi MIZOKAWA a Atsushi HARIKI. Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy. \textit{Physical Review B}. American Physical Society, 2024, roč.~109, č.~20, s.~205131-205136. ISSN~2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.109.205131.

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