Mechanism of magnetic moment collapse under pressure in ferropericlase.
Publication type: Journal Article
Publication date: 2015-06-18
scimago Q2
wos Q3
SJR: 0.624
CiteScore: 4.6
Impact factor: 2.6
ISSN: 09538984, 1361648X
PubMed ID:
26086296
Condensed Matter Physics
General Materials Science
Abstract
We propose a new scenario for the magnetic collapse under pressure in ferropericlase (FP) (Fe(1/4)Mg(3/4))O without the presence of intermediate spin state, which contradicts the mechanism proposed in (2013 Phys. Rev. B 87 165113). This scenario is supported by results of combined local density approximation + dynamical mean-field theory method calculations for the paramagnetic phase at ambient and high pressures. At ambient pressure, calculation gave (Fe(1/4)Mg(3/4))O as an insulator with Fe 3d-shell in high-spin state. Experimentally observed high-spin to low-spin state transition of the Fe(2+) ion in the pressure range of 35-75 GPa is successfully reproduced in our calculations. The spin crossover is characterized by coexistence of Fe(2+) ions in high and low spin state but intermediate spin state is absent in the whole pressure range. Moreover, the probability of Fe ion d(7) onfiguration with S = 1 grows with pressure due to shortening of metal-oxygen distance. Also, no metal-insulator transition was obtained up to the pressure 140 GPa in agreement with experiment.
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Skorikov N. et al. Mechanism of magnetic moment collapse under pressure in ferropericlase. // Journal of Physics Condensed Matter. 2015. Vol. 27. No. 27. p. 275501.
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Skorikov N., Shorikov A. O., Skornyakov S. L., KOROTIN M. A., Anisimov V. Mechanism of magnetic moment collapse under pressure in ferropericlase. // Journal of Physics Condensed Matter. 2015. Vol. 27. No. 27. p. 275501.
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TY - JOUR
DO - 10.1088/0953-8984/27/27/275501
UR - https://doi.org/10.1088/0953-8984/27/27/275501
TI - Mechanism of magnetic moment collapse under pressure in ferropericlase.
T2 - Journal of Physics Condensed Matter
AU - Skorikov, N.A
AU - Shorikov, A. O.
AU - Skornyakov, S. L.
AU - KOROTIN, M. A.
AU - Anisimov, V.I.
PY - 2015
DA - 2015/06/18
PB - IOP Publishing
SP - 275501
IS - 27
VL - 27
PMID - 26086296
SN - 0953-8984
SN - 1361-648X
ER -
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BibTex (up to 50 authors)
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@article{2015_Skorikov,
author = {N.A Skorikov and A. O. Shorikov and S. L. Skornyakov and M. A. KOROTIN and V.I. Anisimov},
title = {Mechanism of magnetic moment collapse under pressure in ferropericlase.},
journal = {Journal of Physics Condensed Matter},
year = {2015},
volume = {27},
publisher = {IOP Publishing},
month = {jun},
url = {https://doi.org/10.1088/0953-8984/27/27/275501},
number = {27},
pages = {275501},
doi = {10.1088/0953-8984/27/27/275501}
}
Cite this
MLA
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Skorikov, N.A, et al. “Mechanism of magnetic moment collapse under pressure in ferropericlase..” Journal of Physics Condensed Matter, vol. 27, no. 27, Jun. 2015, p. 275501. https://doi.org/10.1088/0953-8984/27/27/275501.