Charge transfer, valence, and the metal-insulator transition in Pr0.5Ca0.5CoO3.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F10%3A00353284" target="_blank" >RIV/68378271:_____/10:00353284 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Charge transfer, valence, and the metal-insulator transition in Pr0.5Ca0.5CoO3.

Original language description

Generalized gradient approximation (GGA)?+U electronic-structure calculations evidence that the recently observed simultaneous metal-insulator and spin-state transition in perovskite cobaltite Pr0.5Ca0.5CoO3 is accompanied by a charge transfer between Prand Co cations from 0.5 Pr3+ + Co3.5+ toward 0.5 Pr4+ + Co3+. The metal-insulator transition is a result of the interplay between covalency of the Pr-O bond and increasing stability of the insulating low-spin configuration with decreasing valency of Cocation. Our calculations explain why this type of transition is encountered in the Pr-based system only.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

<a href="/en/project/GA202%2F09%2F0421" target="_blank" >GA202/09/0421: Magnetic polarons in cobaltites</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2010

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Review. B

ISSN

1098-0121

e-ISSN

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Volume of the periodical

81

Issue of the periodical within the volume

15

Country of publishing house

US - UNITED STATES

Number of pages

5

Pages from-to

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UT code for WoS article

000277210500043

EID of the result in the Scopus database

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