Investigation of Structural, Mechanical, Optoelectronic, and Thermoelectric Properties of BaXF3 (X = Co, Ir) Fluoro-Perovskites: Promising Materials for Optoelectronic …
Coded within Wien2K, we carry out DFT-based calculations for investigations of the
structural, elastic, optoelectronic, and thermoelectric properties of BaXF3 (X= Co, Ir) fluoro …
structural, elastic, optoelectronic, and thermoelectric properties of BaXF3 (X= Co, Ir) fluoro …
Probing the physical properties for prospective high energy applications of QMnF 3 (Q= Ga, In) halide perovskites compounds employing the framework of density …
We use WIEN2K to conduct density functional theory computations to explore the structural,
thermodynamic, optoelectronic, and mechanical properties of fluoroperovskites QMnF3 (Q …
thermodynamic, optoelectronic, and mechanical properties of fluoroperovskites QMnF3 (Q …
First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications
Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X=
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …
Investigating the optoelectronic and thermoelectric properties of CdTe systems in different phases: a first-principles study
CdTe is a potential material for making efficient and stable solar cells. The present study
aimed to systematically investigate the electronic, optical, and thermoelectric properties of …
aimed to systematically investigate the electronic, optical, and thermoelectric properties of …
Insight into the optoelectronic and thermoelectric nature of NaLiX (X= S, Se, Te) novel direct bandgap semiconductors: a first-principles study
In the present work, an in-depth study was conducted on the structural, optoelectronic, and
thermoelectric nature of novel ternary-type NaLiX (X= S, Se, Te) chalcogenides. The WC …
thermoelectric nature of novel ternary-type NaLiX (X= S, Se, Te) chalcogenides. The WC …
The physical properties of RbAuX (X= S, Se, Te) novel chalcogenides for advanced optoelectronic applications: An ab-initio study
The efficient physical properties of alkali-based ternary chalcogenides are investigated in
the orthorhombic structure employing the full potential linearized-augmented-plane-wave …
the orthorhombic structure employing the full potential linearized-augmented-plane-wave …
Exploring the electronic, optical, and thermometric properties of novel AlCuX2 (X = S, Se, Te) semiconductors: a first-principles study
In the current study, we investigated the structural, electronic, optical, and thermoelectric
properties of three chalcopyrite materials AlCuX2 (X= S, Se, and Te) employing the full …
properties of three chalcopyrite materials AlCuX2 (X= S, Se, and Te) employing the full …
First-principles study of potassium-based novel chalcogenide materials for optoelectronic and thermoelectric devices
The structural, electronic, optical, and thermoelectric natures of potassium-based ternary
KAuY (Y= S, Se, and Te) materials are studied by employing density functional theory …
KAuY (Y= S, Se, and Te) materials are studied by employing density functional theory …
Insight into the electronic, optical and transport nature of Al2CdX4 (X= S, Se and Te) employing the accurate mBJ approach: Novel materials for opto-electronic …
Here in this work, we reported results about the electronic, optical and thermoelectric
properties of ternary Al 2 CdX 4 (X= S, Se and Te) chalcogenides by the first principles …
properties of ternary Al 2 CdX 4 (X= S, Se and Te) chalcogenides by the first principles …
Investigating the optoelectronic and thermoelectric nature of IrSbX (X= S, Se, and Te) TMC's semiconductors: By employing the accurate modified Becke-Johnson …
The Iridium-based transition metal chalcogenides display significant results in terms of their
optoelectronic and thermoelectric properties are investigated using the accurate Trans …
optoelectronic and thermoelectric properties are investigated using the accurate Trans …