We are attempting to study the properties of new materials based on Diamond-like semiconductors (DLS). Due to broad collection of useful properties, DLS are exciting materials to study. The novel substances Li2MnGeS4 and Li2CoSnS4 result from using a rational and guileless design approach that leads the discovery of DLSs with wide-ranging regions of optical transparency. So here, we have analyzed their applications in atomic devices and system called “optoelectronic” using the FP-APW method and mBJ method. The band gap value for Li2MnGeS4 is 2.911[Formula: see text]eV and Li2CoSnS4 is 2.45[Formula: see text]eV. The present DLS materials confirm their semiconductor characters. The presence of iron and manganese in these compounds have generated magnetic properties that we explored by the calculation of magnetic moment and spin-densities maps.

中文翻译：

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Li2MnGeS4和Li2CoSnS4光电特性的密度泛函理论研究

我们正在尝试研究基于类金刚石半导体 (DLS) 的新材料的特性。由于广泛收集有用的特性，DLS 是令人兴奋的研究材料。新物质李2MnGeS4和李2CoSnS4使用理性和朴实的设计方法导致发现具有广泛光学透明区域的 DLS。因此，在这里，我们使用 FP-APW 方法和 mBJ 方法分析了它们在原子设备和称为“光电”的系统中的应用。Li的带隙值2MnGeS4是2.911【公式：见正文】eV和Li2CoSnS4 为 2.45[公式：见正文]eV。目前的 DLS 材料证实了它们的半导体特性。这些化合物中铁和锰的存在产生了我们通过计算磁矩和自旋密度图来探索的磁性。