The structural and elastic properties of InSb1-xBix alloys

被引：16
作者：
Saeidi, Parviz [1 ]
Kaviyani, Mohammad Hossein Shahidi [2 ]
Yalameha, Shahram [1 ]
机构：
[1] Univ Isfahan, Fac Sci, Dept Phys, Esfahan, Iran
[2] Univ Isfahan, Fac Adv Technol, Dept Nanophys, Esfahan, Iran
来源：
COMPUTATIONAL CONDENSED MATTER | 2019年 / 18卷
关键词：
Density functional theory; InSb1-xBix alloys; Structural properties; Elastic properties; NEGATIVE POISSON RATIOS; ELECTRONIC-PROPERTIES; OPTOELECTRONIC PROPERTIES; THERMODYNAMIC PROPERTIES; PHASE-STABILITY; 1ST-PRINCIPLES; CONSTANTS; GROWTH; CRYSTAL; BISMUTH;
D O I：
10.1016/j.cocom.2018.e00358
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Based on density functional theory, the structural and elastic properties of InSb1-xBix alloys have been studied using first principle calculations. The generalized gradient approximation in the presence of spin-orbit coupling is utilized to perform the calculations presented in this paper. The calculated lattice constants of InSb1-xBix alloys are in good agreement with the available experimental data. The mechanical stability of these alloys is demonstrated using elastic constants. The ductility and brittleness of these alloys are investigated using both Poisson's ratio and Pugh's ratio. Moreover, the anisotropy of InSb1-xBix alloys is studied using the universal index and the 3D representation of Young's modulus. According to the obtained values of Poisson's ratio, the InSb0.5Bi0.5 and InBi alloys are auxetic materials. (C) 2018 Elsevier B.V. All rights reserved.
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页数：7
相关论文
共 47 条
  • [1] Valence-band anticrossing in mismatched III-V semiconductor alloys
    Alberi, K.
    Wu, J.
    Walukiewicz, W.
    Yu, K. M.
    Dubon, O. D.
    Watkins, S. P.
    Wang, C. X.
    Liu, X.
    Cho, Y. -J.
    Furdyna, J.
    [J]. PHYSICAL REVIEW B, 2007, 75 (04):
  • [2] ELASTIC CONSTANTS OF CENTRAL FORCE MODEL FOR CUBIC STRUCTURES - POLYCRYSTALLINE AGGREGATES AND INSTABILITIES
    ANDERSON, OL
    DEMAREST, HH
    [J]. JOURNAL OF GEOPHYSICAL RESEARCH, 1971, 76 (05): : 1349 - &
  • [3] Structural and opto-electronic properties of InP1-xBix bismide alloys for MID-infrared optical devices: A DFT plus TB-mBJ study
    Assali, Abdenacer
    Bouslama, M.
    Chaabane, L.
    Mokadem, A.
    Saidi, F.
    [J]. PHYSICA B-CONDENSED MATTER, 2017, 526 : 71 - 79
  • [4] Negative Poisson's ratios as a common feature of cubic metals
    Baughman, RH
    Shacklette, JM
    Zakhidov, AA
    Stafström, S
    [J]. NATURE, 1998, 392 (6674) : 362 - 365
  • [5] MOLECULAR NETWORK DESIGN
    EVANS, KE
    NKANSAH, MA
    HUTCHINSON, IJ
    ROGERS, SC
    [J]. NATURE, 1991, 353 (6340) : 124 - 124
  • [6] Acoustic waves and phonon focus in Li crystal: the first principle study
    Fu, Hongzhi
    Yao, Liping
    Hou, Zhufeng
    Fu, Juan
    Ma, Yanming
    [J]. EUROPEAN PHYSICAL JOURNAL B, 2014, 87 (03)
  • [7] A density functional theory investigation of the structural and optoelectronic properties of InP1-xBix alloys
    Gandouzi, Mohamed
    Hedhili, Fekhra
    Rekik, Najeh
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2018, 149 : 307 - 315
  • [8] Structural, elastic, electronic and optical properties of the newly synthesized monoclinic Zintl phase BaIn2P2
    Guechi, N.
    Bouhemadou, A.
    Khenata, R.
    Bin-Omran, S.
    Chegaar, M.
    Al-Douri, Y.
    Bourzami, A.
    [J]. SOLID STATE SCIENCES, 2014, 29 : 12 - 23
  • [9] Elastic and thermodynamic properties of new (Zr3-xTix)AlC2 MAX-phase solid solutions
    Hadi, M. A.
    Roknuzzaman, M.
    Chroneos, A.
    Naqib, S. H.
    Islam, A. K. M. A.
    Vovk, R. V.
    Ostrikov, K.
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2017, 137 : 318 - 326
  • [10] Haq B. U., 2018, INTERMETALLICS, V93, P235
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