We report on our results obtained on the physical properties of BxInyGa[Formula: see text]N quaternary alloys in the zinc-blende phase that are thoroughly considered by the linearized augmented plane wave method, with a full potential within density functional theory, for different concentrations [Formula: see text] and [Formula: see text] as employed in the Wien2k code. We calculated the structural properties, including lattice constant [Formula: see text] and the bulk modulus [Formula: see text]. We computed as well the band structures, the dielectric constant and the refractive index of our quaternary alloys compounds. Finally, nonlinear dependence on the compositions [Formula: see text] and [Formula: see text] are investigated in-depth and still expecting for experimental confirmations. To the best of our knowledge, this is the first theoretical investigation of BxInyGa[Formula: see text]N alloy conducted to date.

中文翻译：

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四元 BxInyGa1−x−yN 化合物的结构、电子和光学性质的第一性原理研究

我们报告了我们在 B 的物理性质上获得的结果X在是的Ga[公式：见文本]通过线性化增强平面波方法彻底考虑的闪锌矿相中的 N 四元合金，在密度泛函理论中具有全部潜力，适用于不同浓度 [公式：见文本]和 [公式：见文本] 如在 Wien2k 代码中使用的那样。我们计算了结构性质，包括晶格常数[公式：见正文]和体积模量[公式：见正文]。我们还计算了四元合金化合物的能带结构、介电常数和折射率。最后，对组合物[公式：见正文]和[公式：见正文]的非线性依赖性进行了深入研究，仍期待实验证实。据我们所知，这是对 B 的首次理论研究X在是的Ga[式：见正文]N合金进行至今。