Pressure effect on electronic band structures of NiAs-type chromium chalcogenides

M. Takagaki; T. Kawakami; M. Shirai; K. Motizuki

doi:10.1016/S0304-8853(97)00433-2

Pressure effect on electronic band structures of NiAs-type chromium chalcogenides

M. Takagaki, T. Kawakami, M. Shirai, K. Motizuki

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic and ferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is found to be always stable energetically. For the ferromagnetic state, which is realized below T_c = 340 K, the theoretical lattice spacing a is obtained as 4.18 Å, which agrees fairly well with the observed one. The magnetic moment arises from mainly the Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at the Cr-site.

Original language	English
Pages (from-to)	1385-1386
Number of pages	2
Journal	Journal of Magnetism and Magnetic Materials
Volume	177-181
Issue number	PART 2
DOIs	https://doi.org/10.1016/S0304-8853(97)00433-2
Publication status	Published - 1998 Jan
Externally published	Yes

Keywords

Band structure
Ferromagnetism
Phase transitions - pressure effect
Pressure effect

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Pressure effect on electronic band structures of NiAs-type chromium chalcogenides",

abstract = "Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic and ferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is found to be always stable energetically. For the ferromagnetic state, which is realized below Tc = 340 K, the theoretical lattice spacing a is obtained as 4.18 {\AA}, which agrees fairly well with the observed one. The magnetic moment arises from mainly the Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at the Cr-site.",

keywords = "Band structure, Ferromagnetism, Phase transitions - pressure effect, Pressure effect",

author = "M. Takagaki and T. Kawakami and M. Shirai and K. Motizuki",

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language = "English",

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issn = "0304-8853",

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TY - JOUR

T1 - Pressure effect on electronic band structures of NiAs-type chromium chalcogenides

AU - Takagaki, M.

AU - Kawakami, T.

AU - Shirai, M.

AU - Motizuki, K.

PY - 1998/1

Y1 - 1998/1

N2 - Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic and ferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is found to be always stable energetically. For the ferromagnetic state, which is realized below Tc = 340 K, the theoretical lattice spacing a is obtained as 4.18 Å, which agrees fairly well with the observed one. The magnetic moment arises from mainly the Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at the Cr-site.

AB - Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic and ferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is found to be always stable energetically. For the ferromagnetic state, which is realized below Tc = 340 K, the theoretical lattice spacing a is obtained as 4.18 Å, which agrees fairly well with the observed one. The magnetic moment arises from mainly the Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at the Cr-site.

KW - Band structure

KW - Ferromagnetism

KW - Phase transitions - pressure effect

KW - Pressure effect

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U2 - 10.1016/S0304-8853(97)00433-2

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JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

SN - 0304-8853

IS - PART 2

ER -

Pressure effect on electronic band structures of NiAs-type chromium chalcogenides

Abstract

Keywords

ASJC Scopus subject areas

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