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	First-principles calculations of the structural stability of Fe 2P
	Wu, Xiang ; Qin, Shan
	2010
英文摘要	An investigation into the structural stabilities of Fe2P under high pressure is conducted using first-principles calculations based on density functional theory. Our results demonstrate that the stable phase of Fe 2P should be the Pnma with the lowest total energy at lower pressure, and the P2m and Pnma phases would transform to the Pmphase with larger coordination number of iron at 125 GPa and 153 GPa respectively. A magnetic moment collapse is observed at about 28 GPa in the P2m phase. ? 2010 IOP Publishing Ltd.; EI; 0
语种	英语
DOI标识	10.1088/1742-6596/215/1/012110
内容类型	其他
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/330216]
专题	地球与空间科学学院
推荐引用方式 GB/T 7714	Wu, Xiang,Qin, Shan. First-principles calculations of the structural stability of Fe 2P. 2010-01-01.

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