Název:	Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4
Autoři:	Azam, Sikander A. Mahboob, Mamoona Ali, Sobia Rani, Malika Irfan, Muhammad Wang, Xiaotian Khan, Saleem Ayaz Kanoun, Mohammed Benali Goumri-Said, Souraya
Citace zdrojového dokumentu:	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.
Datum vydání:	2019
Nakladatel:	World Scientific Publishing
Typ dokumentu:	článek article
URI:	2-s2.0-85070830994 http://hdl.handle.net/11025/37035
ISSN:	2010-3247
Klíčová slova v dalším jazyce:	Diamond-like semiconductors;optoelectronic properties;DFT;FPLAPW
Abstrakt v dalším jazyce:	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.
Práva:	Plný text není přístupný. © World Scientific Publishing
Vyskytuje se v kolekcích:	Články / Articles (RAM) OBD

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