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Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe. / SKORNYAKOV, S.L.; Leonov, I.; ANISIMOV, V.I.
In: Письма в Журнал экспериментальной и теоретической физики, Vol. 103, No. 3-4, 2016, p. 291-297.

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Harvard

SKORNYAKOV, SL, Leonov, I & ANISIMOV, VI 2016, 'Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe', Письма в Журнал экспериментальной и теоретической физики, vol. 103, no. 3-4, pp. 291-297.

APA

SKORNYAKOV, S. L., Leonov, I., & ANISIMOV, V. I. (2016). Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe. Письма в Журнал экспериментальной и теоретической физики, 103(3-4), 291-297.

Vancouver

SKORNYAKOV SL, Leonov I, ANISIMOV VI. Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe. Письма в Журнал экспериментальной и теоретической физики. 2016;103(3-4):291-297.

Author

SKORNYAKOV, S.L. ; Leonov, I. ; ANISIMOV, V.I. / Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe. In: Письма в Журнал экспериментальной и теоретической физики. 2016 ; Vol. 103, No. 3-4. pp. 291-297.

BibTeX

@article{72f0b31de2a54ffa83ae7cf08d2ca6b0,
title = "Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe",
abstract = "We present results of first-principle calculation of the electronic structure and phase stability of the parent compound of Fe-based superconductors, FeSe, in a magnetically ordered state. In particular, we investigate ferromagnetic (FM) and two different types of antiferromagnetic (AFM) configurations (with magnetic structure vectors (π, 0) and (π,π)). Our results for the total energy exhibit a two-minima shape for the FM and a standard parabolic-like behavior for the AFM configurations. We find a remarkable reconstruction of the electronic structure in the vicinity of the M point of the Brillouin zone which is accompanied with a rapid increase of magnetic moment upon expansion of the lattice volume. On that basis we propose that both the anomalous behavior of FeSe upon expansion of the lattice reported for the paramagnetic state (Phys. Rev. Lett. 115, 106402 (2015)) and that obtained in the present work have a common origin.",
author = "S.L. SKORNYAKOV and I. Leonov and V.I. ANISIMOV",
year = "2016",
language = "English",
volume = "103",
pages = "291--297",
journal = "Письма в Журнал экспериментальной и теоретической физики",
issn = "0370-274X",
publisher = "Издательство {"}Наука{"}",
number = "3-4",

}

RIS

TY - JOUR

T1 - Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe

AU - SKORNYAKOV, S.L.

AU - Leonov, I.

AU - ANISIMOV, V.I.

PY - 2016

Y1 - 2016

N2 - We present results of first-principle calculation of the electronic structure and phase stability of the parent compound of Fe-based superconductors, FeSe, in a magnetically ordered state. In particular, we investigate ferromagnetic (FM) and two different types of antiferromagnetic (AFM) configurations (with magnetic structure vectors (π, 0) and (π,π)). Our results for the total energy exhibit a two-minima shape for the FM and a standard parabolic-like behavior for the AFM configurations. We find a remarkable reconstruction of the electronic structure in the vicinity of the M point of the Brillouin zone which is accompanied with a rapid increase of magnetic moment upon expansion of the lattice volume. On that basis we propose that both the anomalous behavior of FeSe upon expansion of the lattice reported for the paramagnetic state (Phys. Rev. Lett. 115, 106402 (2015)) and that obtained in the present work have a common origin.

AB - We present results of first-principle calculation of the electronic structure and phase stability of the parent compound of Fe-based superconductors, FeSe, in a magnetically ordered state. In particular, we investigate ferromagnetic (FM) and two different types of antiferromagnetic (AFM) configurations (with magnetic structure vectors (π, 0) and (π,π)). Our results for the total energy exhibit a two-minima shape for the FM and a standard parabolic-like behavior for the AFM configurations. We find a remarkable reconstruction of the electronic structure in the vicinity of the M point of the Brillouin zone which is accompanied with a rapid increase of magnetic moment upon expansion of the lattice volume. On that basis we propose that both the anomalous behavior of FeSe upon expansion of the lattice reported for the paramagnetic state (Phys. Rev. Lett. 115, 106402 (2015)) and that obtained in the present work have a common origin.

UR - http://elibrary.ru/item.asp?id=26125226

M3 - Article

VL - 103

SP - 291

EP - 297

JO - Письма в Журнал экспериментальной и теоретической физики

JF - Письма в Журнал экспериментальной и теоретической физики

SN - 0370-274X

IS - 3-4

ER -

ID: 1279115