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Volume 33 Issue 2
Apr 2019
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Chinese Journal of High Pressure Physics  > 2019  >  33(2): 022201.
ZHANG Feipeng, SHI Jiali, ZHANG Jingwen, BAO Lihong, QIN Guoqiang, ZHANG Guanglei, YANG Xinyu, ZHANG Jiuxing. Elastic and Mechanical Properties of Rare Earth Boride LaB6 Crystalline Material[J]. Chinese Journal of High Pressure Physics, 2019, 33(2): 022201. doi: 10.11858/gywlxb.20180668
Citation: ZHANG Feipeng, SHI Jiali, ZHANG Jingwen, BAO Lihong, QIN Guoqiang, ZHANG Guanglei, YANG Xinyu, ZHANG Jiuxing. Elastic and Mechanical Properties of Rare Earth Boride LaB6 Crystalline Material[J]. Chinese Journal of High Pressure Physics, 2019, 33(2): 022201. doi: 10.11858/gywlxb.20180668
shu

Elastic and Mechanical Properties of Rare Earth Boride LaB6 Crystalline Material

doi: 10.11858/gywlxb.20180668
  • 1.

    Henan Provincial Engineering Laboratory of Building-Photovoltaics, Institute of Sciences, Henan University of Urban Construction, Pingdingshan 467036, China

  • 2.

    School of Materials Sciences and Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043, China

  • 3.

    Anhui Provincial Key Laboratory of Advanced Functional Materials and Devices, College of Materials Science and Engineering, Hefei University of Technology, Hefei 230009, China

  • 4.

    College of Physics and Electronic Information, Inner Mongolia Normal University, Hohhot 010022, China

  • Received Date: 19 Oct 2018
  • Rev Recd Date: 14 Nov 2018
    Abstract
  • The elastic constants parameters, bulk modulus, shear modulus and mechanical properties of the LaB6 crystalline material have been systematically studied with density functional theory and the Birch-Murnaghan formation. The results show that the LaB6 has larger C11, indicating its larger elastic constant along this direction. The LaB6 also has large bulk modulus, and the bulk modulus is isotropic, whereas the shear modulus is moderately anisotropic. The LaB6 crystalline material has large Young’s modulus of 227.85 GPa, so it is hard for elastic deformation. The Poisson’s ratio is 0.26 and the B/G value is 1.44, these values indicate the moderate brittleness of this material. The hardness of LaB6 is 11.56 GPa and the mean elastic velocity is 4.87 km/s. The LaB6 has narrow band gap of 0.20 eV, showing that it is metallic type material. The electrons of LaB6 have strong localization interaction, and there is covalent bond between La and B.

     

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