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Phase stability in substitutionally Mn-doped GaAs: Role of lattice constraint

机译:锰掺杂GaAs中的相稳定性:晶格约束的作用

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Phase stability of Ga_xMn_(1-x)As alloy with a zincblende structure over the whole Mn composition is investigated by means of the full-potential linearized augmented plane-wave method and the cluster expansion method, and role of a lattice constraint from substrate on the phase stability is discussed. The calculated results demonstrate a phase separated type phase diagram with a miscibility gap even when the lattice constraint by changing the lattice constant is imposed, where the critical temperature is found to decrease with increasing the lattice constant. Thus, the elastic constraint from the substrate acts to help stabilize a solid solution so as to realize the magnetic semiconductor with higher Mn composition.
机译:采用全电位线性化增强平面波法和簇扩展法研究了具有闪锌矿结构的Ga_xMn_(1-x)As合金在整个Mn成分中的相稳定性,以及基体对晶格约束的作用。讨论了相稳定性。计算结果表明,即使在通过改变晶格常数施加晶格约束的情况下,具有相溶性间隙的相分离型相图,其中发现临界温度随着晶格常数的增加而降低。因此,来自基板的弹性约束有助于稳定固溶体,从而实现具有更高Mn组成的磁性半导体。

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