Browsing by Author "Abu Bakar Iqbal"

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    The investigation of electronic, structural and optical properties of full-heusler Na2TlX (X=Bi, Sb) alloys
    (UMT, Lahore, 2022) Abu Bakar Iqbal
    Na2TlBi and Na2TlSb Heusler alloys are investigated in terms of their structural, electronic, and optical properties with the help of the full potential linearized augmented plane wave method (FP-LAPW) approach within the carcass of density functional theory or Ab-initio calculation. All physical and other properties of Na2TlX (X=Bi, Sb) Heusler Alloys are computed with Modified Becke Johnson (mBJ) potential. Modified Becke Johnson (mBJ) potential is preffered over GGA because it gives results very close to the experimental data. Electronic properties are computed with mBJ and we observed both alloys have semi conducting behavior with direct bandgap. TDOS and PDOS of both alloys are also determined to check the individual distribution and energy distribution of all the state. Many optical properties including Dielectric function, refractive index, optical conductivity, and energy loss are determined. From the calculated optical properties we can nominate our alloys are good candidate for solar cell applications and for photo-voltaic applications as well.