Title: Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4
Authors: Azam, Sikander A.
Mahboob, Mamoona
Ali, Sobia
Rani, Malika
Irfan, Muhammad
Wang, Xiaotian
Khan, Saleem Ayaz
Kanoun, Mohammed Benali
Goumri-Said, Souraya
Citation: AZAM, S. A., MAHBOOB, M., ALI, S., RANI, M., IRFAN, M., WANG, X., KHAN, S. A., KANOUN, M. B., GOUMRI-SAID, S. Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4. SPIN, 2019, roč. 9, č. 3. ISSN 2010-3247.
Issue Date: 2019
Publisher: World Scientific Publishing
Document type: článek
URI: 2-s2.0-85070830994
ISSN: 2010-3247
Keywords in different language: Diamond-like semiconductors;optoelectronic properties;DFT;FPLAPW
Abstract in different language: 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.
Rights: Plný text není přístupný.
© World Scientific Publishing
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