Theoretical studies on phase stability, electronic, optical, mechanical and thermal properties of chalcopyrite semiconductors HgXN2 (X= Si, Ge and Sn): a …
In this study, the ground state physical properties of Hg-based chalcopyrite semiconductors,
HgXN 2 (X= Si, Ge and Sn), are investigated using the density functional theory (DFT), which …
HgXN 2 (X= Si, Ge and Sn), are investigated using the density functional theory (DFT), which …
Investigation of the electronic, structural, optical and thermoelectric properties of ternary chalcopyrite ACuS2 (A= Al, Ga and In): Ab initio study
In the present work, the structural, electronic, optical and thermoelectric properties of the
ternary chalcopyrite compounds defined by ACuS 2 (A= Al, Ga, In) has been performed by …
ternary chalcopyrite compounds defined by ACuS 2 (A= Al, Ga, In) has been performed by …
Structural, elastic, electronic, optical and thermoelectric properties of metal based ternary chalcopyrite semiconductor for photovoltaic application: First-principles …
In this article, the physical properties of XCrS 2 (X= Zn, Cd, and Hg) are studied by Density
Functional Theory (DFT) using Wien2K code. Stability, along with certain parameters of the …
Functional Theory (DFT) using Wien2K code. Stability, along with certain parameters of the …
Investigation of optoelectronic & thermoelectric features of ZnCrX2 (X= S Se Te) chalcopyrite semiconductor using mBJ potential
In the present investigation, we have examined the structural, optoelectronic and
thermoelectric properties of the compound ZnCrX 2 (X= S, Se, Te) using the full potential …
thermoelectric properties of the compound ZnCrX 2 (X= S, Se, Te) using the full potential …
Structural and Optical Study of Ga3+ Substitution in CuInS2 Nanoparticles Synthesized by a One-Pot Facile Method
A one-pot method was used to synthesize CuIn x Ga1–x S2 nanoparticles by substituting
In3+ with Ga3+. The samples with composition of gallium ranging from 0% to 100% were …
In3+ with Ga3+. The samples with composition of gallium ranging from 0% to 100% were …
[HTML][HTML] Conspicuous interatomic bonding in chalcogenide crystals and implications on electronic, optical, and elastic properties
Chalcogenide crystals are a unique class of materials very different from semiconductors or
metallic alloys. They also have many practical applications, especially in relation to their …
metallic alloys. They also have many practical applications, especially in relation to their …
Ultraviolet active novel chalcogenides AScSe2 (A= K, Cs): The structural, optoelectronic, mechanical, vibrational, and thermodynamical properties for energy …
RMA Khalil, MI Hussain, A Asma, F Hussain… - Materials Science in …, 2024 - Elsevier
It is essential nowadays to investigate some unique and appropriate materials for
optoelectronic applications. We deliberate here for the first time, the structural …
optoelectronic applications. We deliberate here for the first time, the structural …
Novel AgRhM2 (M= S, Se, Te) chalcopyrites with superior optical properties and solar cell efficiencies
The compounds with silver chalcopyrites usually possess excellent electronic properties
including functional hole conductivity and robust hybridization (pd), which further give the …
including functional hole conductivity and robust hybridization (pd), which further give the …
Effect of lattice deformation on electronic and optical properties of CuGaSe2: Ab-initio calculations
In this study, we have investigated the effect of bi-axial, ϵ ab, and uni-axial, ϵ c, strains on
the optoelectronic properties of chalcopyrite semiconductor CuGaSe 2 through first …
the optoelectronic properties of chalcopyrite semiconductor CuGaSe 2 through first …
A DFT study of the electronic, optical and topological properties of free and biaxially strained CuIn 1− x Al x Se 2
P Jiang, P Boulet, MC Record - Journal of Materials Chemistry C, 2019 - pubs.rsc.org
The electronic and optical properties of free and biaxially strained CuIn1− xAlxSe2 were
calculated by using the full potential linear augmented plane wave (FP-LAPW) method. The …
calculated by using the full potential linear augmented plane wave (FP-LAPW) method. The …