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中国科学院力学研究所机构知识库
Knowledge Management System of Institue of Mechanics, CAS
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Indexed By：EI
Source Publication：MATERIALS
Creator：彭庆
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Funding Project：The main numerical calculations in this study were carried out using the MatCloud computational infrastructure for high-throughput material simulation.
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Assessing Effects of van der Waals Corrections on Elasticity of Mg
3
Bi
2-x
Sb
x
in DFT Calculations
期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
Authors:
Peng Q(彭庆)
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Zhao, Shuai
;
Yuan XZ(袁晓泽)
;
Chen, Xiaojia
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Submit date：2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
