Electronic band structure and magnetic and optical properties of Fe7Se8 and Co7Se8

Hiroaki Ikeda; Masafumi Shirai; Naoshi Suzuki; Kazuko Motizuki

doi:10.1016/0304-8853(94)00678-4

Electronic band structure and magnetic and optical properties of Fe₇Se₈ and Co₇Se₈

Hiroaki Ikeda, Masafumi Shirai, Naoshi Suzuki, Kazuko Motizuki

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

16 Citations (Scopus)

Abstract

First-principles electronic band structure calculations are performed for cation-deficient NiAs-type transition-metal compounds Fe₇Se₈ and Co₇Se₈ by using the LAPW method. The magnetic moment calculated for ferrimagnetic Fe₇Se₈ agrees well with the observed value. Photoemission and optical conductivity spectra are calculated for both compounds and the results are compared with the observations.

Original language	English
Pages (from-to)	159-160
Number of pages	2
Journal	Journal of Magnetism and Magnetic Materials
Volume	140-144
Issue number	PART 1
DOIs	https://doi.org/10.1016/0304-8853(94)00678-4
Publication status	Published - 1995 Feb
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "First-principles electronic band structure calculations are performed for cation-deficient NiAs-type transition-metal compounds Fe7Se8 and Co7Se8 by using the LAPW method. The magnetic moment calculated for ferrimagnetic Fe7Se8 agrees well with the observed value. Photoemission and optical conductivity spectra are calculated for both compounds and the results are compared with the observations.",

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AB - First-principles electronic band structure calculations are performed for cation-deficient NiAs-type transition-metal compounds Fe7Se8 and Co7Se8 by using the LAPW method. The magnetic moment calculated for ferrimagnetic Fe7Se8 agrees well with the observed value. Photoemission and optical conductivity spectra are calculated for both compounds and the results are compared with the observations.

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