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      Mechanical and thermodynamic properties of AlX (X = N, P, As) compounds

      1 , 2
      International Journal of Modern Physics B
      World Scientific Pub Co Pte Lt

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          Abstract

          The Vickers hardness of various AlX (X = N, P, As) compound polymorphs were calculated with the bond resistance model. Thermodynamic properties, such as vibrational entropy, constant volume specific heat and Debye temperatures, were calculated using phonon dispersion relations and phonon density of states (DOS). The calculated values are in good agreement with the previous experimental and theoretical data. For the same structure of AlX (X = N, P, As) compounds, their hardness and Debye temperatures both decrease with the X atomic number. The wurtzite (wz) and zincblende (zb) structures of the same compounds AlX share an almost identical hardness, but have different Debye temperatures. The difference between wz and zb structures increases as the atomic number of X increases. The thermodynamic properties reveal that the constant volume specific heat approaches the Dulong–Petit rule at high temperatures.

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          Most cited references34

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            First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm

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              Zinc-blende–wurtzite polytypism in semiconductors

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                Author and article information

                Journal
                International Journal of Modern Physics B
                Int. J. Mod. Phys. B
                World Scientific Pub Co Pte Lt
                0217-9792
                1793-6578
                September 14 2017
                September 20 2017
                September 14 2017
                September 20 2017
                : 31
                : 23
                : 1750167
                Affiliations
                [1 ]China Center for Industrial Security Research (CCISR), Beijing Jiaotong University, Beijing 100044, P. R. China
                [2 ]Beijing Center for Industrial Security and Development Research, Beijing Jiaotong University, Beijing 100044, P. R. China
                Article
                10.1142/S0217979217501673
                287e8a79-17f3-4c45-ad4a-c8e95b35d026
                © 2017
                History

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