First-principles investigation of mechanical,thermodynamic and electronic properties of FeSn5 and Co

来源 :The 24th International Conference on Glass( ICG Congress 201 | 被引量 : 0次 | 上传用户:chnool
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  To give guidance to develop Fe/Co-Sn based anode materials for lithium-ion battery, the mechanical, thermodynamic and electronic properties of FeSn5 and CoSn5 intermetallic phases under pressures ranging from 0 to 30 GPa have been investigated systematically using first-principles total energy calculations within the framework of generalized gradient approximation (GGA).
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