Computer Simulation of Stability of Nano-Electromechanical Chips of Variable Composition Semiconductor Compounds Al<sub>x</sub>Ga<sub>1-х</sub>Р
Abstract
The paper presents a study of relaxation of nanostructured compounds of variable composition electromechanical nanochips AlxGa1-xP. Semiconductor nanoelectromechanical chips AlP and GaP, consisting of 6400 atoms of 20 × 20 × 2 unit cells in the crystal structure of sphalerite are constructed. Interatomic Al - P and Ga - P electromechanical pseudopotentials are calculated using the method of approximating quasiparticle density functional theory. Stability of variable composition AlxGa1-xP nanochips is studied by the method of molecular mechanics. It is shown that, in general, a formation of nanoelectromechanical chips in a matrix of sphalerite crystal AlxGa1-xP slightly changes the total energy and interatomic distances. Development of continuous substitutional solid solutions in the sub-lattice A3 of nanochips of AlxGa1-xP compounds follows Vegard’s law quite well. Minor deviations from Vegard's law are caused by transformations of the second and the third coordination spheres in nanochips due to component A3 concentration changes. In case of x = 0,5, there is a predominant destabilizing nonlinear contribution to the positive deviation of total energy.
DOI 10.14258/izvasu(2017)4-02
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References
Угай Я.А. Введение в химию полупроводников. — М., 1975.
Готра З.Ю. Технология микроэлектронных устройств : справочник. — М., 1991.
Гусев А.И. Наноматериалы, наноструктуры, нанотехнологии. — М., 2009.
Васильев А.Г., Колковский Ю.В., Концевой Ю.А. СВЧ-транзисторы на широкозонных полупроводниках. — М., 2011.
Безносюк С.А., Терентьева Ю.В., Придчина С.А. Компьютерное моделирование устойчивости наноэлектро-механических чипов полупроводниковых соединений переменного состава ZnS1-xSex. // Известия Алтайского гос. ун-та. — 2016. — №1(89). DOI: 10.14258/izvasu(2016)1-02.
Лебеденко С.Е. Физико-химические аспекты и компьютерное моделирование формирования нанослоевых структур выпрямляющих контактов : дис. ... канд. хим. наук. — Барнаул, 2007.
Зюзин Ю.Б. Обзор изобретений «Полупроводниковые приборы и интегральные схемы». Ч. 1-3 // Аналитические обзоры [Электронный ресурс]. Scitechlibrary.com. — 2003.
Мильвидский М.Г., Пелевин О.В., Сахаров Б.А., Физико-химические основы получения разлагающихся полупроводниковых соединений (на примере арсенида галлия). — М., 1974.
Гаман В.И. Физика полупроводниковых приборов. — М., 2000.
Бокий ГБ. Кристаллохимия. — М., 1971.
Многоуровневое строение, физико-химические и инфомационные свойства вещества / С. А. Безносюк, А. И. Потекаев, М. С. Жуковский, Т. М. Жуковская, Л. В. Фомина. — Томск, 2005.
Безносюк С.А., Жуковский М.С., Важенин С.В., Лерх Я.В. КомпНаноТех / Свидетельство о государственной регистрации программы для ЭВМ № 2009613043 от 10 июня 2009 г.
HyperChem® Release 5.0 for Windows. Reference manual / Copyright © 1996 Hypercube, Inc. — Canada. — 1996.
HyperChem® Computational Chemistry. Practical Guide / Copyright © 1996 Hypercube, Inc. — Canada. — 1996.
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