LDA+DMFT study of magnetic transition and metallization in CoO under pressure
Publication type: Journal Article
Publication date: 2012-09-03
scimago Q3
wos Q3
SJR: 0.312
CiteScore: 2.3
Impact factor: 1.3
ISSN: 00213640, 10906487
Physics and Astronomy (miscellaneous)
Abstract
The magnetic and spectral properties of the paramagnetic phase of CoO at ambient and high pressures have been calculated 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 t2g5eg2 configuration. The energy gap is continuously decreased, and finally a transition into metallic state occurs with the increase in 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 t2g states of cobalt only, whereas the eg states become metallic after the spin transition at higher pressures.
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Dyachenko A. A. et al. LDA+DMFT study of magnetic transition and metallization in CoO under pressure // JETP Letters. 2012. Vol. 96. No. 1. pp. 56-60.
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Dyachenko A. A., Shorikov A. O., Lukoyanov A. V., Anisimov V. LDA+DMFT study of magnetic transition and metallization in CoO under pressure // JETP Letters. 2012. Vol. 96. No. 1. pp. 56-60.
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RIS
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TY - JOUR
DO - 10.1134/s002136401213005x
UR - https://doi.org/10.1134/s002136401213005x
TI - LDA+DMFT study of magnetic transition and metallization in CoO under pressure
T2 - JETP Letters
AU - Dyachenko, A A
AU - Shorikov, A. O.
AU - Lukoyanov, A. V.
AU - Anisimov, V.I.
PY - 2012
DA - 2012/09/03
PB - Pleiades Publishing
SP - 56-60
IS - 1
VL - 96
SN - 0021-3640
SN - 1090-6487
ER -
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BibTex (up to 50 authors)
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@article{2012_Dyachenko,
author = {A A Dyachenko and A. O. Shorikov and A. V. Lukoyanov and V.I. Anisimov},
title = {LDA+DMFT study of magnetic transition and metallization in CoO under pressure},
journal = {JETP Letters},
year = {2012},
volume = {96},
publisher = {Pleiades Publishing},
month = {sep},
url = {https://doi.org/10.1134/s002136401213005x},
number = {1},
pages = {56--60},
doi = {10.1134/s002136401213005x}
}
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MLA
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Dyachenko, A. A., et al. “LDA+DMFT study of magnetic transition and metallization in CoO under pressure.” JETP Letters, vol. 96, no. 1, Sep. 2012, pp. 56-60. https://doi.org/10.1134/s002136401213005x.
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