中国物理B ›› 2023, Vol. 32 ›› Issue (1): 18102-018102.doi: 10.1088/1674-1056/ac633d

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A new transition metal diphosphide α-MoP2 synthesized by a high-temperature and high-pressure technique

Xiaolei Liu(刘晓磊)1, Zhenhai Yu(于振海)1,†, Jianfu Li(李建福)2, Zhenzhen Xu(徐真真)2, Chunyin Zhou(周春银)3, Zhaohui Dong(董朝辉)3, Lili Zhang(张丽丽)3, Xia Wang(王霞)4, Na Yu(余娜)4, Zhiqiang Zou(邹志强)4, Xiaoli Wang(王晓丽)2,‡, and Yanfeng Guo(郭艳峰)1,5,§   

  1. 1 School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China;
    2 School of Opto-Electronic Information Science and Technology, Yantai University, Yantai 264005, China;
    3 Shanghai Synchrotron Radiation Facility, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201204, China;
    4 School of Physical Science and Technology and Analytical Instrumentation Center, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China;
    5 ShanghaiTech Laboratory for Topological Physics, ShanghaiTech University, Shanghai 201210, China
  • 收稿日期:2022-02-17 修回日期:2022-03-28 接受日期:2022-04-01 出版日期:2022-12-08 发布日期:2022-12-08
  • 通讯作者: Zhenhai Yu, Xiaoli Wang, Yanfeng Guo E-mail:yuzhh@shanghaitech.edu.cn;xlwang@ytu.edu.cn;guoyf@shanghaitech.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 92065201, 11874264, and 11974154) and the Starting Grant of ShanghaiTech University and Analytical Instrumentation Center, SPST, ShanghaiTech University (Grant No. SPST-AIC10112914). Dr. X. L. Wang acknowledges support from the Natural Science Foundation of Shandong Province, China (Grant No. ZR2022MA004).

A new transition metal diphosphide α-MoP2 synthesized by a high-temperature and high-pressure technique

Xiaolei Liu(刘晓磊)1, Zhenhai Yu(于振海)1,†, Jianfu Li(李建福)2, Zhenzhen Xu(徐真真)2, Chunyin Zhou(周春银)3, Zhaohui Dong(董朝辉)3, Lili Zhang(张丽丽)3, Xia Wang(王霞)4, Na Yu(余娜)4, Zhiqiang Zou(邹志强)4, Xiaoli Wang(王晓丽)2,‡, and Yanfeng Guo(郭艳峰)1,5,§   

  1. 1 School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China;
    2 School of Opto-Electronic Information Science and Technology, Yantai University, Yantai 264005, China;
    3 Shanghai Synchrotron Radiation Facility, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201204, China;
    4 School of Physical Science and Technology and Analytical Instrumentation Center, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China;
    5 ShanghaiTech Laboratory for Topological Physics, ShanghaiTech University, Shanghai 201210, China
  • Received:2022-02-17 Revised:2022-03-28 Accepted:2022-04-01 Online:2022-12-08 Published:2022-12-08
  • Contact: Zhenhai Yu, Xiaoli Wang, Yanfeng Guo E-mail:yuzhh@shanghaitech.edu.cn;xlwang@ytu.edu.cn;guoyf@shanghaitech.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 92065201, 11874264, and 11974154) and the Starting Grant of ShanghaiTech University and Analytical Instrumentation Center, SPST, ShanghaiTech University (Grant No. SPST-AIC10112914). Dr. X. L. Wang acknowledges support from the Natural Science Foundation of Shandong Province, China (Grant No. ZR2022MA004).

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摘要： Monoclinic $\alpha $-MoP$_{2}$, with the OsGe$_{2}$-type structure (space group $C2/m$, $Z = 4$) and lattice parameters $a = 8.7248(11) $ Å, $b = 3.2322(4) $ Å, $c = 7.4724(9) $ Å, and $\beta =119.263^\circ $, was synthesized under a pressure of 4 GPa at a temperature between 1100 ${^\circ}$C and 1200 ${^\circ}$C. The structure of $\alpha $-MoP$_{2}$ and its relationship to other transition metal diphosphides are discussed. Surprisingly, the ambient pressure phase orthorhombic $\beta $-MoP$_{2}$ (space group Cmc2$_{1}$) is denser in structure than $\alpha $-MoP$_{2}$. Room-temperature high-pressure x-ray diffraction studies exclude the possibility of phase transition from $\beta $-MoP$_{2}$ to $\alpha $-MoP$_{2}$, suggesting that $\alpha $-MoP$_{2}$ is a stable phase at ambient conditions; this is also supported by the total energy and phonon calculations.

关键词: high-pressure synthesis, monoclinic MoP2, crystal structure

Abstract: Monoclinic $\alpha $-MoP$_{2}$, with the OsGe$_{2}$-type structure (space group $C2/m$, $Z = 4$) and lattice parameters $a = 8.7248(11) $ Å, $b = 3.2322(4) $ Å, $c = 7.4724(9) $ Å, and $\beta =119.263^\circ $, was synthesized under a pressure of 4 GPa at a temperature between 1100 ${^\circ}$C and 1200 ${^\circ}$C. The structure of $\alpha $-MoP$_{2}$ and its relationship to other transition metal diphosphides are discussed. Surprisingly, the ambient pressure phase orthorhombic $\beta $-MoP$_{2}$ (space group Cmc2$_{1}$) is denser in structure than $\alpha $-MoP$_{2}$. Room-temperature high-pressure x-ray diffraction studies exclude the possibility of phase transition from $\beta $-MoP$_{2}$ to $\alpha $-MoP$_{2}$, suggesting that $\alpha $-MoP$_{2}$ is a stable phase at ambient conditions; this is also supported by the total energy and phonon calculations.

Key words: high-pressure synthesis, monoclinic MoP2, crystal structure

中图分类号:  (Methods of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)

  • 81.10.-h
81.30.Hd (Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder) 61.50.-f (Structure of bulk crystals)