From the absorption and reflection spectra relation, observations indicate that absorption and reflectivity are inversely proportional to each other.įr. Value of absorption coefficient and optical conductivity of Co 2CrSb is greatest than other two compounds. Optical properties play an important role to understand the nature of material for optical phenomenon and optoelectronics devices. Calculated magnetic moments have good agreement with the Slater-Pauling behavior. However, the respective magnetic moment of these compounds is found to be 3.14, 5.05 and 4.12µ B in ATK-VNL code.
#QUANTUMWISE POLARIZATION CODE#
Calculations performed using WIEN2k code shows the magnetic moment of these compounds Co 2CrZ (Z= In, Sb, Sn) 3.11, 5.00 and 4.00µ B respectively. However, above mentioned compounds shows zero band gap in ATK-VNL code. Further, the compound Co 2CrSb has been found to be perfectly half-metallic ferromagnetic (HMF). These compounds show zero band gap in their majority-spin and minority-spin representing metallic behavior except the compound Co 2CrSb, 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.
#QUANTUMWISE POLARIZATION FULL#
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).
For the investigation of structural, electronic, optical and magnetic properties of Co 2CrZ (Z= In, Sb, Sn) compounds, we have used two different methods.
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