COMPUTER SIMULATION OF NANOELECTROMECHANICAL SYSTEMS OF GALLIUM ARSENIDE-ANTIMONIDE

10.25712/ASTU.1811-1416.2024.01.007

Abstract

The paper presents the results of computer modeling of diamond-like semiconductor nanoparticles based on gallium arsenide and on the basis of gallium antimonide. In this work, models of nanoparticles with dimensions of 3´3´3 unit cells and sizes of 5´5´5 unit cells with different contents of antimony atoms in the B^V sublattice were studied. Using the nonlocal orbital-shell density functional method, the equilibrium parameters of the bonds of pairs of atoms included in the crystal structure of the studied nanoelectromechanical systems (NEMS) were obtained. The dependence of the energy of gallium arsenide-antimonide nanoparticles on the size of the nanoparticle and the antimony content in its composition was studied using molecular mechanics methods. A slight change in the interatomic distance was shown in semiconductor systems with a diamond-like structure and in the NEMS state. It has been shown that when antimony atoms are introduced into the gallium arsenide system, the system is stabilized, and when arsenic atoms are introduced into the gallium antimonide system, the system is destabilized.