Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4
At a Glance
Section titled “At a Glance”| Metadata | Details |
|---|---|
| Publication Date | 2019-05-31 |
| Journal | SPIN |
| Authors | Sikander Azam, Mamoona Mahboob, Sobia Ali, Malika Rani, Muhammad Irfan |
| Institutions | Southwest University, The Women University Multan |
| Citations | 1 |
Abstract
Section titled “Abstract”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 Li 2 MnGeS 4 and Li 2 CoSnS 4 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 Li 2 MnGeS 4 is 2.911[Formula: see text]eV and Li 2 CoSnS4 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.