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

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

中国物理B ›› 2011, Vol. 20 ›› Issue (6): 66101-066101.doi: 10.1088/1674-1056/20/6/066101

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

张倩, 巫翔, 秦善

Key Laboratory of Orogenic Belts and Crustal Evolution of Ministry of Education, School of Earth and Space Sciences, Peking University, Beijing 100871, China

收稿日期:2010-09-02 修回日期:2011-01-21 出版日期:2011-06-15 发布日期:2011-06-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 40972029 and 41072027).

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

Zhang Qian(张倩), Wu Xiang(巫翔)^†, and Qin Shan(秦善)

Key Laboratory of Orogenic Belts and Crustal Evolution of Ministry of Education, School of Earth and Space Sciences, Peking University, Beijing 100871, China

Received:2010-09-02 Revised:2011-01-21 Online:2011-06-15 Published:2011-06-15
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 40972029 and 41072027).

摘要/Abstract

摘要： 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 Co_2P 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.

关键词: Co₂P, ab initio, pressure-induced phase transition

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.

Key words: Co₂P, ab initio, pressure-induced phase transition

中图分类号: (X-ray diffraction)

61.05.cp

71.15.Nc (Total energy and cohesive energy calculations) 91.60.Hg (Phase changes)

张倩, 巫翔, 秦善. In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co₂P[J]. 中国物理B, 2011, 20(6): 66101-066101.

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[J]. Chin. Phys. B, 2011, 20(6): 66101-066101.

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

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

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