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Эта публикация цитируется в 3 научных статьях (всего в 3 статьях)
КОНДЕНСИРОВАННОЕ СОСТОЯНИЕ
Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe
S. L. Skornyakovab, I. Leonovc, V. I. Anisimovab a Institute of Metal Physics UB of the RAS, 620990 Yekaterinburg, Russia
b Ural Federal University, 620002 Yekaterinburg, Russia
c Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg,
86135 Augsburg, Germany
Аннотация:
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 $(\pi,0)$ and $(\pi,\pi)$). 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.
Поступила в редакцию: 23.12.2015 Исправленный вариант: 29.12.2015
Образец цитирования:
S. L. Skornyakov, I. Leonov, V. I. Anisimov, “Effect of magnetic order on the phase stability of the parent chalcogenide compound FeSe”, Письма в ЖЭТФ, 103:4 (2016), 291–297; JETP Letters, 103:4 (2016), 265–271
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/jetpl4872 https://www.mathnet.ru/rus/jetpl/v103/i4/p291
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