@article{Sukhender_Pravesh_Mohan_Verma_2020, title={First principles calculations for electronic, optical and magnetic properties of full heusler compounds}, url={https://periodicals.karazin.ua/eejp/article/view/15634}, DOI={10.26565/2312-4334-2020-3-14}, abstractNote={<p>For the investigation of structural, electronic, optical and magnetic properties of Co<sub>2</sub>CrZ (Z= In, Sb, Sn) compounds, we have used two different methods. One is based on full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2k and second is pseudo potential method as implemented in Atomistic Tool Kit-Virtual NanoLab (ATK-VNL). These compounds show zero band gap in their majority-spin and minority-spin representing metallic behavior except the compound Co<sub>2</sub>CrSb, which is showing the band gap 0.54 eV in their minority-spin near the Fermi level and viewing 100% spin polarization; which is implemented in WIEN2k code. Further, the compound Co<sub>2</sub>CrSb has been found to be perfectly half-metallic ferromagnetic (HMF). However, above mentioned compounds shows zero band gap in ATK-VNL code<em>. </em>Calculations performed using WIEN2k code shows the magnetic moment of these compounds Co<sub>2</sub>CrZ (Z= In, Sb, Sn) 3.11, 5.00 and 4.00µ<sub>B</sub> respectively. However, the respective magnetic moment of these compounds is found to be 3.14, 5.05 and 4.12µ<sub>B</sub> in ATK-VNL code. Calculated magnetic moments have good agreement with the Slater-Pauling behavior. Optical properties play an important role to understand the nature of material for optical phenomenon and optoelectronics devices. Value of absorption coefficient and optical conductivity of Co<sub>2</sub>CrSb is greatest than other two compounds. From the absorption and reflection spectra relation, observations indicate that absorption and reflectivity are inversely proportional to each other.</p&gt;}, number={3}, journal={East European Journal of Physics}, author={Sukhender, Sukhender and Pravesh, Pravesh and Mohan, Lalit and Verma, Ajay Singh}, year={2020}, month={Aug.}, pages={111-121} }