THERMODYNAMIC MODELING OF AIIIBV MELTSтезисы доклада

Дата последнего поиска статьи во внешних источниках: 26 декабря 2015 г.

Работа с тезисами доклада


[1] Thermodynamic modeling of aiiibv melts / N. I. Ilinykh, I. A. Malkova, V. P. Vassiliev, V. A. Volgarev // XX International Conference on Chemical Thermodynamics in Russia (RCCT-2015) (June 22-26, 2015,): Abstracts, 2015. – 407 рp. — Vol. 1. — Nizhni Novgorod University Press Nizhni Novgorod, 2015. — P. 241–241. Nowadays the materials used in the electronic engineering consist of several elements (more than 5 as a rule) and that is why it is correctly to speak not about the separate material phases, but about the formation of the complex structures. In different fields of industry the binary and ternary AIII – BV semiconductor solid solutions and their intermetallic compounds are widely used. АIIIBV compounds are the nearest electronic analogous of silicon and germanium compounds. They belong to diamond-like group of semiconductor materials. Most of the known AIIIBV compounds crystallize in a cubic system, zinc blend type (ZnS), except the nitrides of aluminum, gallium, indium and thallium, which present a hexagonal cell, wurtzite type (ZnS). The preliminary thermodynamic estimation is necessary to predict and check the semiconductor multifunctional structures of complex composition and to create the flexible technologies, which determine the general technical progress of electronic engineering. Presented work is devoted to the investigation and reassessment of the composition and thermodynamic characteristics of binary AIIIBV alloys, such as Ga–Sb, Al–Sb, In–Sb, In–P, Ga–P, B–P, Al–P, In–As, Al–As, Ga–As, using optimized thermodynamic functions of the AIIIBV compounds [1] and thermodynamic modeling method [2]. As software the program complex TERRA was used [3]. Modeling was executed in atmosphere of argon at the common pressure of P = 105 Pa and temperature and concentration intervals, corresponding to the regions of liquid state on the phase diagrams of above-indicated binary systems according to [4]. The activities of components, equilibrium composition of melts, integral excess enthalpies, and entropies, integral and partial excess Gibbs energies were obtained. It was established, that the activities of the components have big negative deviations from Raol’s low. Concentration dependencies of integral excess Gibbs energies, entropies and enthalpies are no monotonous. These facts justify, that strong interaction between atoms of different sorts takes place. Using subprogram RECTANGLE [1] the phase diagrams for all above-indicated systems were constructed. On these diagrams the temperature and concentration regions of existence of the components of the condensed phase and the gas phase are shown. [1] Vassiliev V.P., Taldrik, A.F., Ilinykh N.I. MATEC Web of Conference, 2013, 3, 01078. [2] Vatolin, N.A., Moiseev G.K., Trusov B.G. Thermodynamic modeling in high-temperature inorganic systems, Moscow: Metallurgia, 1994 (in Russian). [3] Trusov B.G. Vestnik of Bauman Moscow State Technological University, 2012, 2 (Special Issue), 240-249 (in Russian). [4] Phase diagrams of binary metallic systems: Handbook. In 3 vol. Ed. N.P. Ljakishev, Moscow: Mashinostroenie, 1997 (in Russian). 241P. [ DOI ]

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