INITIO MOLECULAR-DYNAMICS;
AUGMENTED-WAVE METHOD;
N-K PLANE;
GROWTH;
FE3-XMNXSI;
D O I:
10.1134/S0021364014100105
中图分类号:
O4 [物理学];
学科分类号:
0702 ;
摘要:
The dispersion of the relative permittivity E > of a 27-nm-thick epitaxial Fe3Si iron silicide film has been measured within the E = 1.16-4.96 eV energy range using the spectroscopic ellipsometry technique. The experimental data are compared to the relative permittivity calculated in the framework of the density functional theory using the GGA-PBE approximation. For Fe3Si, the electronic structure and the electronic density of states (DOS) are calculated. The analysis of the frequencies corresponding to the transitions between the DOS peaks demonstrates qualitative agreement with the measured absorption peaks. The analysis of the single wavelength laser ellipsometry data obtained in the course of the film growth demonstrates that a continuous layer of Fe3Si iron silicide film is formed if the film thickness achieves 5 nm.
机构:
Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Japan Sci & Technol Agcy, Chiyoda Ku, Tokyo 1020075, JapanTohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Hara, Kosuke O.
Usami, Noritaka
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机构:
Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Japan Sci & Technol Agcy, Chiyoda Ku, Tokyo 1020075, JapanTohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Usami, Noritaka
Toh, Katsuaki
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机构:
Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058573, JapanTohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Toh, Katsuaki
Toko, Kaoru
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机构:
Japan Sci & Technol Agcy, Chiyoda Ku, Tokyo 1020075, Japan
Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058573, JapanTohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
Toko, Kaoru
Suemasu, Takashi
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机构:
Japan Sci & Technol Agcy, Chiyoda Ku, Tokyo 1020075, Japan
Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058573, JapanTohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
机构:
Yokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, JapanYokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, Japan
Negishi, R
Mochizuki, I
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机构:
Yokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, JapanYokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, Japan
Mochizuki, I
Shigeta, Y
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机构:
Yokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, JapanYokohama City Univ, Grad Sch Integrated Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, Japan