徳島大学 教育・研究者情報データベース(EDB)

1. 徳島大学.工学部.光応用工学科.光機能材料講座
2. 三重大学
3. University of Kansas

1. 森 篤史

   役割	任意	(日) 執筆，定式，シミュレーション，解析，考察
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2. (英) Ito Tomonori / (日) 伊藤 智徳

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3. (英) Laird, Brian B

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(英) Superlattice structure along the phase boundary in alloy phase diagram of InGaN thin film by Monte Carlo simulation

(英) Semigrand canonical (SGC) Monte Carlo (MC) simulation has been performed for InxGa1-xN thin film pseudomorphic to the GaN (0001) substrate. In the SGC ensemble the chemical potential differences, Dm=mIn-mGa, is given. The species identity changes are attempted in the SGC MC simulation with the total number of particles being fixed. Free energies of Ga-rich and In-rich phases at a temperature T=800K have been calculated by integrating the composition (the mole fraction, xIn=nIn/(nIn+nGa)) by Dm in this case. Once one obtained a phase equilibrium condition Dm (T) at T, one can search the phase equilibrium condition at the adjacent temperature T+dT with the help d(Dm)/dT = -Dh/TDx, where Dh and Dx are enthalpy difference and the composition difference, respectively. We have applied this method, the Gibbs-Duhem integration technique, to outline the boundary of the InxGa1-xN/GaN alloy phase diagram. We have looked into the detailed structure of the InxGa1-xN/GaN along the Ga-rich boundary and found the superlattice structure.