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Title: Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}

Abstract

We present both theoretical and experimental investigations of electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2} by means of a full-potential linear augmented plane wave method and optical measurements. We report also ellipsometric and reflectance measurements on samples of polycrystalline osmium disilicide prepared by mechanical alloying. From ab initio calculations these compounds are found to be indirect band-gap semiconductors with the fundamental gap of OsSi{sub 2} larger some 0.3--0.4 eV than the one of {beta}-FeSi{sub 2}. In addition to that, a low value of the oscillator strength is predicted for the first direct transitions in both cases. Computed optical functions for these materials were compared to the ones deduced from optical measurements, indicating very good agreement and the presence of some anisotropic effects.

Authors:
; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
(US)
OSTI Identifier:
40230915
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 64; Journal Issue: 7; Other Information: DOI: 10.1103/PhysRevB.64.075208; Othernumber: PRBMDO000064000007075208000001; 090131PRB; PBD: 15 Aug 2001; Journal ID: ISSN 0163-1829
Publisher:
The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; OPTICAL PROPERTIES; OSCILLATOR STRENGTHS; OSMIUM

Citation Formats

Migas, D B, Miglio, Leo, Henrion, W, Rebien, M, Marabelli, F, Cook, B A, Shaposhnikov, V L, and Borisenko, V E. Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}. United States: N. p., 2001. Web. doi:10.1103/PhysRevB.64.075208.
Migas, D B, Miglio, Leo, Henrion, W, Rebien, M, Marabelli, F, Cook, B A, Shaposhnikov, V L, & Borisenko, V E. Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}. United States. https://doi.org/10.1103/PhysRevB.64.075208
Migas, D B, Miglio, Leo, Henrion, W, Rebien, M, Marabelli, F, Cook, B A, Shaposhnikov, V L, and Borisenko, V E. 2001. "Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}". United States. https://doi.org/10.1103/PhysRevB.64.075208.
@article{osti_40230915,
title = {Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}},
author = {Migas, D B and Miglio, Leo and Henrion, W and Rebien, M and Marabelli, F and Cook, B A and Shaposhnikov, V L and Borisenko, V E},
abstractNote = {We present both theoretical and experimental investigations of electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2} by means of a full-potential linear augmented plane wave method and optical measurements. We report also ellipsometric and reflectance measurements on samples of polycrystalline osmium disilicide prepared by mechanical alloying. From ab initio calculations these compounds are found to be indirect band-gap semiconductors with the fundamental gap of OsSi{sub 2} larger some 0.3--0.4 eV than the one of {beta}-FeSi{sub 2}. In addition to that, a low value of the oscillator strength is predicted for the first direct transitions in both cases. Computed optical functions for these materials were compared to the ones deduced from optical measurements, indicating very good agreement and the presence of some anisotropic effects.},
doi = {10.1103/PhysRevB.64.075208},
url = {https://www.osti.gov/biblio/40230915}, journal = {Physical Review B},
issn = {0163-1829},
number = 7,
volume = 64,
place = {United States},
year = {Wed Aug 15 00:00:00 EDT 2001},
month = {Wed Aug 15 00:00:00 EDT 2001}
}