In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co2P

doi:10.1088/1674-1056/20/6/066101

Abstract In situ high-pressure experiments of Co₂P are carried out by means of angle dispersive X-ray diffraction with diamond anvil cell technique. No phase transition is observed in the present pressure range up to 15 GPa at room temperature, even at high temperature and 15 GPa. Results of compression for Co₂P are well presented by the second-order Birch-Murnaghan equation of state with V₀ = 130.99(2) Å³ (1 Å=0.1 nm) and K₀ = 160(3) GPa. Axial compressibilities are described by compressional modulus of the axis: K_a = 123(2) GPa, K_b = 167(8) GPa and K_c = 220(7) GPa. Theoretical calculations further support the experimental results and indicate that C23-type Co₂P is stable at high pressure compared with the C22-type phase.

Keywords: Co₂P ab initio pressure-induced phase transition

Received: 02 September 2010
Revised: 21 January 2011
Accepted manuscript online:

PACS:	61.05.cp	(X-ray diffraction)
	71.15.Nc	(Total energy and cohesive energy calculations)
	91.60.Hg	(Phase changes)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 40972029 and 41072027).

Cite this article:

Zhang Qian(张倩), Wu Xiang(巫翔), and Qin Shan(秦善) In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co₂P 2011 Chin. Phys. B 20 066101

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In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co₂P

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