<trans-title xml:lang="en">Electronic structures and optical properties of Fe, Co, and Ni doped GaSb</trans-title>

Table 1.
Formation energy of X@Ga and X@Sb defects.
X@Ga和X@Sb缺陷的形成能
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Table 1.
Formation energy of X@Ga and X@Sb defects.
X@Ga和X@Sb缺陷的形成能
Defects
Fe@Ga Co@Ga Ni@Ga Fe@Sb Co@Sb Ni@Sb
E_formation 　/eV 3.0352 2.6561 0.1427 4.1055 3.3773 1.0454

Table 2.
Mulliken population of GaSb and X-doped systems.
GaSb和X掺杂体系的Mulliken布居分析
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Table 2.
Mulliken population of GaSb and X-doped systems.
GaSb和X掺杂体系的Mulliken布居分析
Atomic Charge Bond Population Length
GaSb Ga 0.03 Ga—Sb 0.51 2.6297
Sb –0.03
Fe doped Fe 0.45 Fe—Sb 0.83 2.3936
Co doped Co 0.56 Co—Sb 0.80 2.3972
Ni doped Ni 0.58 Ni—Sb 0.78 2.4344

Table 3.
Total energies of relaxed S1, S2, S3 and S4 configurations.
S1, S2, S3和S4掺杂结构优化后体系的总能量
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Table 3.
Total energies of relaxed S1, S2, S3 and S4 configurations.
S1, S2, S3和S4掺杂结构优化后体系的总能量
结构
S1 S2 S3 S4
总能量 E/eV –65569.778 –65669.549 –65669.235 –65669.152

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Feng-Chun Pan, Xue-Ling Lin, Zhi-Jie Cao, Xiao-Fu Li. Electronic structures and optical properties of Fe, Co, and Ni doped GaSb[J]. Acta Physica Sinica, 2019, 68(18): 184202-1

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Paper Information

Received: Mar. 4, 2019

Accepted: --

Published Online: Jun. 28, 2020

The Author Email:

DOI:10.7498/aps.68.20190290

Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology

Table 1. Formation energy of X@Ga and X@Sb defects. X@Ga和X@Sb缺陷的形成能

Table 1. Formation energy of X@Ga and X@Sb defects. X@Ga和X@Sb缺陷的形成能

Table 2. Mulliken population of GaSb and X-doped systems. GaSb和X掺杂体系的Mulliken布居分析

Table 2. Mulliken population of GaSb and X-doped systems. GaSb和X掺杂体系的Mulliken布居分析

Table 3. Total energies of relaxed S1, S2, S3 and S4 configurations.S1, S2, S3和S4掺杂结构优化后体系的总能量

Table 3. Total energies of relaxed S1, S2, S3 and S4 configurations.S1, S2, S3和S4掺杂结构优化后体系的总能量

Table 1.
Formation energy of X@Ga and X@Sb defects.
X@Ga和X@Sb缺陷的形成能

Table 1.
Formation energy of X@Ga and X@Sb defects.
X@Ga和X@Sb缺陷的形成能

Table 2.
Mulliken population of GaSb and X-doped systems.
GaSb和X掺杂体系的Mulliken布居分析

Table 2.
Mulliken population of GaSb and X-doped systems.
GaSb和X掺杂体系的Mulliken布居分析

Table 3.
Total energies of relaxed S1, S2, S3 and S4 configurations.
S1, S2, S3和S4掺杂结构优化后体系的总能量

Table 3.
Total energies of relaxed S1, S2, S3 and S4 configurations.
S1, S2, S3和S4掺杂结构优化后体系的总能量