Standard

LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE. / Dyachenko, A. A.; Shorikov, A. O.; Anisimov, V. I. и др.
в: Письма в Журнал экспериментальной и теоретической физики, Том 96, № 1-2, 2012, стр. 59-63.

Результаты исследований: Вклад в журнал › Статья › Рецензирование

Harvard

Dyachenko, AA, Shorikov, AO, Anisimov, VI & Lukoyanov, AV 2012, 'LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE', Письма в Журнал экспериментальной и теоретической физики, Том. 96, № 1-2, стр. 59-63.

APA

Dyachenko, A. A., Shorikov, A. O., Anisimov, V. I., & Lukoyanov, A. V. (2012). LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE. Письма в Журнал экспериментальной и теоретической физики, 96(1-2), 59-63.

Vancouver

Dyachenko AA, Shorikov AO, Anisimov VI, Lukoyanov AV. LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE. Письма в Журнал экспериментальной и теоретической физики. 2012;96(1-2):59-63.

Author

Dyachenko, A. A. ; Shorikov, A. O. ; Anisimov, V. I. и др. / LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE. в: Письма в Журнал экспериментальной и теоретической физики. 2012 ; Том 96, № 1-2. стр. 59-63.

BibTeX

@article{0d497863052447f382def8a911e434cc,
title = "LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE",
abstract = "In this work we report results of magnetic and spectral properties calculation for paramagnetic phase of CoO at ambient and high pressures performed within the LDA+DMFT method combining local density approximation (LDA) with dynamical mean-field theory (DMFT). From our results CoO at ambient pressure is a charge transfer insulator in the high-spin t2Be2g configuration. The energy gap is continuously decreased, and finally a transition into metallic state occurs with the increase of pressure that is consistent with experimental behavior of electrical resistivity. Notably, the metal-insulator transition in CoO is found to be accompanied by the high-spin to low-spin (HS-LS) transition in agreement with XES data. The metal-insulator transition is orbital selective in the tig states of cobalt only, whereas the eg states become metallic after the spin transition at higher pressures.",
author = "Dyachenko, {A. A.} and Shorikov, {A. O.} and Anisimov, {V. I.} and Lukoyanov, {A. V.}",
year = "2012",
language = "English",
volume = "96",
pages = "59--63",
journal = "Письма в Журнал экспериментальной и теоретической физики",
issn = "0370-274X",
publisher = "Издательство {"}Наука{"}",
number = "1-2",

}

RIS

TY - JOUR

T1 - LDA+DMFT STUDY OF MAGNETIC TRANSITION AND METALLIZATION IN COO UNDER PRESSURE

AU - Dyachenko, A. A.

AU - Shorikov, A. O.

AU - Anisimov, V. I.

AU - Lukoyanov, A. V.

PY - 2012

Y1 - 2012

N2 - In this work we report results of magnetic and spectral properties calculation for paramagnetic phase of CoO at ambient and high pressures performed within the LDA+DMFT method combining local density approximation (LDA) with dynamical mean-field theory (DMFT). From our results CoO at ambient pressure is a charge transfer insulator in the high-spin t2Be2g configuration. The energy gap is continuously decreased, and finally a transition into metallic state occurs with the increase of pressure that is consistent with experimental behavior of electrical resistivity. Notably, the metal-insulator transition in CoO is found to be accompanied by the high-spin to low-spin (HS-LS) transition in agreement with XES data. The metal-insulator transition is orbital selective in the tig states of cobalt only, whereas the eg states become metallic after the spin transition at higher pressures.

AB - In this work we report results of magnetic and spectral properties calculation for paramagnetic phase of CoO at ambient and high pressures performed within the LDA+DMFT method combining local density approximation (LDA) with dynamical mean-field theory (DMFT). From our results CoO at ambient pressure is a charge transfer insulator in the high-spin t2Be2g configuration. The energy gap is continuously decreased, and finally a transition into metallic state occurs with the increase of pressure that is consistent with experimental behavior of electrical resistivity. Notably, the metal-insulator transition in CoO is found to be accompanied by the high-spin to low-spin (HS-LS) transition in agreement with XES data. The metal-insulator transition is orbital selective in the tig states of cobalt only, whereas the eg states become metallic after the spin transition at higher pressures.

UR - https://elibrary.ru/item.asp?id=18042260

M3 - Article

VL - 96

SP - 59

EP - 63

JO - Письма в Журнал экспериментальной и теоретической физики

JF - Письма в Журнал экспериментальной и теоретической физики

SN - 0370-274X

IS - 1-2

ER -

ID: 9236381