[HTML][HTML] Metal mono-chalcogenides ZnX and CdX (X= S, Se and Te) monolayers: Chemical bond and optical interband transitions by first principles calculations
In this paper, we explore the structural, electronic and optical properties of ZnX and CdX (X=
S, Se and Te) compounds in the two-dimensional (2D) graphene-like structure using the full …
S, Se and Te) compounds in the two-dimensional (2D) graphene-like structure using the full …
First principle studies of structural, elastic, electronic and optical properties of Zn-chalcogenides under pressure
Structural, elastic, electronic and optical properties of zinc-chalcogenides (viz. ZnX, X= S, Se
and Te) are studied in zinc-blende structure under hydrostatic pressure using the full …
and Te) are studied in zinc-blende structure under hydrostatic pressure using the full …
Conversion of optically isotropic to anisotropic CdSxSe1− x (0⩽ x⩽ 1) alloy with S concentration
Structural, electronic and optical properties of CdS x Se 1− x at various compositions (0⩽ x⩽
1) are investigated using full potential linearized augmented plane waves (FP-LAPWs) …
1) are investigated using full potential linearized augmented plane waves (FP-LAPWs) …
Effect of phase transition on the optoelectronic properties of Zn1− xMgxS
Density functional calculations are performed to investigate the structural, electronic, and
optical properties of Zn 1− x Mg x S (0≤ x≤ 1). In the present DFT calculations, we used …
optical properties of Zn 1− x Mg x S (0≤ x≤ 1). In the present DFT calculations, we used …
Phase stability and electronic behavior of MgS, MgSe and MgTe compounds
Ab initio calculations based on density functional theory using the full-potential linearized
augmented plane wave method have been carried out to find the structural stability of …
augmented plane wave method have been carried out to find the structural stability of …
First-principles study on the structural, electronic, and optical properties of Ca1−x Sr x Se alloys
F Ahmadian, A Salary - Journal of the Korean Physical Society, 2016 - Springer
The structural, electronic, and optical properties of binary CaSe and SrSe compounds and
Ca 1− x Sr x Se alloys were studied by using the full potential linearized augmented plane …
Ca 1− x Sr x Se alloys were studied by using the full potential linearized augmented plane …
Electronic and optical properties of mixed Be-chalcogenides
The electronic and optical properties of BeSxSe1− x, BeSxTe1− x and BeSexTe1− x,(0≤ x≤
1) are studied using the highly accurate modified Beck and Johnson (mBJ) potential. The …
1) are studied using the highly accurate modified Beck and Johnson (mBJ) potential. The …
Structural and optoelectronic properties of Mg substituted ZTe (Z= Zn, Cd and Hg)
Wide band gap semiconductor alloys, Mg x Z 1− x Te (Z= Zn, Cd and Hg), are investigated
over a full range of Mg compositions (0≤ x≤ 1) using density functional theory (DFT). The …
over a full range of Mg compositions (0≤ x≤ 1) using density functional theory (DFT). The …
First-principle studies of the optoelectronic properties of ASnF3 (A = Na, K, Rb and Cs)
In this paper, we communicate a new type of Auger-free luminescence (AFL) compounds,
alkali tin fluorides ASnF3 (A= Na, K, Rb and Cs). The luminescence in these compounds …
alkali tin fluorides ASnF3 (A= Na, K, Rb and Cs). The luminescence in these compounds …
Investigation on elastic, optical and thermoelectric properties of 2D MgX (X= O, S, Se, Te) materials under DFT framework
The first principles study of two-dimensional magnesium (Mg) chalcogenides (X= O, S, Se,
Te) in square lattice (s-MgX) and hexagonal phases (h-MgX) is investigated for the first time …
Te) in square lattice (s-MgX) and hexagonal phases (h-MgX) is investigated for the first time …