Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4

被引：1

作者：

Azam, Sikander ^{[1
]}

Mahboob, Mamoona ^{[2
]}

Ali, Sobia ^{[2
]}

Rani, Malika ^{[2
]}

Irfan, Muhammad ^{[1
]}

Wang, Xiaotian ^{[3
]}

Khan, Saleem Ayaz ^{[4
]}

Kanoun, Mohammed Benali ^{[5
]}

Goumri-Said, Souraya ^{[6
]}

机构：

[1] RIPHAH Int Univ, Fac Engn & Appl Sci, Dept Phys, 1-14 Campus, Islamabad, Pakistan

[2] Women Univ Multan, Dept Phys, Multan 66000, Pakistan

[3] Southwest Univ, Sch Phys Sci & Technol, Chongqing 400715, Peoples R China

[4] Univ West Bohemia, New Technol Res Ctr, Univ 8, Plzen 30614, Czech Republic

[5] King Faisal Univ, Phys Dept, Coll Sci, POB 400, Al Hasa 31982, Saudi Arabia

[6] Alfaisal Univ, Coll Sci, Phys Dept, POB 50927, Riyadh 11533, Saudi Arabia

来源：

SPIN | 2019年 / 9卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Diamond-like semiconductors; optoelectronic properties; DFT; FPLAPW; TRANSPORT-PROPERTIES; OPTICAL-PROPERTIES; MIDDLE;

D O I：

10.1142/S2010324719500152

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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 eV and Li2CoSnS4 is 2.45 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.

引用

页数：10

共 30 条

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