One of the major problems that we are interested in is the studying electronic, optical and magnetic properties of low dimensional materials (graphene, phosphorene, metal chalcogenides and other similar systems). We probe the effect of doping into these materials. Apart from that, we search  judiciously to propose new two-dimensional (2D) materials from comprehensive first-principles calculations. Predicting new nanomaterials not only explore the rest of the iceberg of 2D materials but also their novel properties enrich the wealth of 2D nanomaterials.  The intriguing properties open new perspectives for applications in various fields.

 

Electronics, Optoelectronics and Spintronics: On the basis of density functional theory along with non-equilibrium Green’s function methodologies, we study the detailed electronic structure, various optical descriptors, electronic transport properties, magnetism and spin transport properties (spin dependent I-V characteristics, spin filtering efficiency) of different nanomaterials and nanojunctions to find their potential applications in electronic, optoelectronic and spintronic devices.

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Thermoelectrics: We are currently working on the thermoelectric properties of different materials. Thermoelectric materials are key solution to energy shortage through conversion of  thermal energy into electrical energy. The efficiency of a thermoelectric material is determined by its thermoelectric figure of merit. We can calculate figure of merit from the electrical conductivity, thermal conductivity and Seebeck coefficient of material.

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