In situ high-pressure X-ray diffraction experiments and ab initio calculations of Co2P |
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| Authors: | Zhang Qian Wu Xiang and Qin Shan |
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| Institution: | Key Laboratory of Orogenic Belts and Crustal Evolution of Ministry of Education, School of Earth and Space Sciences, Peking University, Beijing 100871, China;Key Laboratory of Orogenic Belts and Crustal Evolution of Ministry of Education, School of Earth and Space Sciences, Peking University, Beijing 100871, China;Key Laboratory of Orogenic Belts and Crustal Evolution of Ministry of Education, School of Earth and Space Sciences, Peking University, Beijing 100871, China |
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| 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 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: Ka = 123(2) GPa, Kb = 167(8) GPa and Kc = 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. |
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| Keywords: | Co2P ab initio pressure-induced phase transition |
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