Open AccessТермодинамическая стабильность твердых растворов In-=SUB=-x-=/SUB=-Ga-=SUB=-1-x-=/SUB=-N
Author(s) -
С.А. Кукушкин,
А.В. Осипов
Publication year - 2021
Publication title -
pisʹma v žurnal tehničeskoj fiziki
Language(s) - English
Resource type - Journals
eISSN - 1726-7471
pISSN - 0320-0116
DOI - 10.21883/pjtf.2021.19.51516.18879
Subject(s) - orthorhombic crystal system , gallium , monoclinic crystal system , indium , gallium nitride , materials science , hexagonal crystal system , crystallography , density functional theory , nitride , solid solution , decomposition , epitaxy , chemistry , crystal structure , computational chemistry , nanotechnology , metallurgy , organic chemistry , layer (electronics)
A group-theoretical analysis of solid solutions of indium and gallium nitrides InxGa1-xN was carried out, and all the main symmetry groups were found for these solutions with the initial hexagonal structure. The thermodynamic potentials of the main phases with different compositions x are calculated using the density functional theory. It is shown that for small and large x, i.e. at 0 <x <0.2 and 0.8 <x <1, there is a large number of monoclinic phases Pm and P2_1, which are stable with respect to decomposition into InN and GaN at room temperature. In the range 0.2 <x <0.8, there are only two stable orthorhombic phases Cmc2_1 with compositions x = 1/3 and x = 2/3. All basic geometric and thermodynamic properties of various InxGa1-xN phases have been calculated. It was found that the stability of InxGa1-xN epitaxial films increases with growth on InN and decreases with growth on GaN.