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 …

Abstract Polycrystalline Cd 1-x Zn x Te thin films prepared by a combinatorial MOCVD
process were characterised for their structural, optical, and electrical properties. Films …

Abstract Effect of spin orbit coupling (SOC) on the physical properties of perovskites A 3 SnO
(A= Ca, Sr and Ba) have been studied in the domain of density functional theory (DFT). It is …

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 …

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 …

Novel type-II core/shell structure quantum dos have been synthesized for solar cell
photoelectrode material. Cd 0.64 Zn 0.36 Te and CdS were chosen as a core and shell …

We employ first principles methods based on density functional theory and beyond to study
Zn x Cd 1-x Te, 0≤ x≤ 1, alloys in the zinc blende (B3) crystal structure. Cluster Expansion …

We explore the entire search space of 32-layer Zn x Cd 1− x Te superlattices to find the
structures that minimize and maximize the bandgap at each possible zinc concentration. The …

Band structure and optical spectrum of hexagonal and tetragonal ScN monolayers are
studied using density functional theory. More accurate and reliable mBJ-GGA method is …

In this paper, the structural, electronic, optical, and dielectric properties of Cd 1-x Zn x Te
alloy are reported using (FP-LAPW) method based on DFT, within GGA, LDA …