For the first time, beryllium (Be) composition dependent structural and optoelectronic characteristics of wurtzite BexMg1-xS ternary alloys have been investigated through first principle calculations. The WC-GGA scheme for structural and both EV-GGA and mBJ-GGA schemes for optoelectronic properties have been utilized for computing exchange-correlation potentials. The lattice constants (a0,c0) decrease, while bulk modulus (B0) increases nonlinearly with increasing Be-composition x. Though MgS is a direct (Γ-Γ) and BeS is an indirect (M-Γ) band gap semiconductor, their amalgamation possesses direct band gap (Γ-Γ) ternary semiconductor alloys. Calculated minimum band gap (Eg) with mBJ-GGA potentials is higher then that with EV-GGA for each specimen and it nonlinearly reduces with increasing Be-composition x. Calculated higher effective mass of hole compared to electron is indicating the domination of electrons over holes in carrier transport phenomenon in each specimen. The electronic transport properties of the considered specimens have been computed in terms of their Seebeck coefficients, electrical conductivities, electronic thermal conductivities, electronic power factors, electronic specific heats and Pauli magnetic susceptibilities. Each specimen shows optical anisotropy and hence uniaxial birefringence. The peak(s) in the ultraviolet region of the dielectric function spectra of the considered specimens are contributed by S-3p→Be-3s, 2p & Mg-4s, 4p electronic excitations. Moreover, enhancement in calculated Eg causes reduction in calculated zero-frequency limits in ε1(ω), n(ω) and R(ω) spectra, but enhancement in critical point energies in the ε2(ω), k(ω), α(ω) and σ(ω) spectra and vice versa.
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