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This article is cited in 3 scientific papers (total in 3 papers)
Micro- and nanocrystalline, porous, composite semiconductors
Ab initio study of the ZnSnSb$_2$ semiconductor
Yu. M. Basalaev Kemerovo State University
Abstract:
For the chalcopyrite-like ZnSnSb$_2$ crystal, the equilibrium crystal-lattice parameters $a$ = 6.2893 $\mathring{\mathrm{A}}$, $c$ = 12.5975 $\mathring{\mathrm{A}}$, and $u$ = 0.2314 and the band structure involving the band gap $E_g$ = 0.43 eV are determined by ab initio calculations based on density functional theory. The phonon vibrational frequencies, the elastic constants ($C_{11}$ = 89.3, $C_{12}$ = 41.9, $C_{13}$ = 41.8, $C_{33}$ = 90.4, $C_{44}$ = 43.9, and $C_{66}$ = 44.1), the phase velocities of elastic waves, the elasticity moduli, the microhardness (2.29 GPa), and the Grüneisen elastic parameter (1.5) are calculated. The temperature dependences of the heat capacity and thermodynamic potential are considered (in the range from 20 to 633 K).
Received: 26.09.2017 Accepted: 25.01.2018
Citation:
Yu. M. Basalaev, “Ab initio study of the ZnSnSb$_2$ semiconductor”, Fizika i Tekhnika Poluprovodnikov, 52:13 (2018), 1608–1613; Semiconductors, 52:13 (2018), 1715–1720
Linking options:
https://www.mathnet.ru/eng/phts5637 https://www.mathnet.ru/eng/phts/v52/i13/p1608
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