First-principles calculations to investigate electronic, optical, and thermoelectric properties of Na2GeX3 (X= S, Se, Te) for energy applications
The optoelectronic, structural, and transport properties of the ternary chalcogenides Na 2
GeX 3 (X= S, Se Te) are investigated by the full-potential linearized augmented plane wave …
GeX 3 (X= S, Se Te) are investigated by the full-potential linearized augmented plane wave …
Proposition of new stable rare-earth ternary semiconductor sulfides of type LaTlS2 (La= Er, Eu, Tb): Ab-initio study and prospects for optoelectronic, spintronic and …
Based on ab-initio calculations in the framework of the density functional theory (DFT), an
analysis of the structural, magnetic, thermoelectric, and optoelectronic properties of three …
analysis of the structural, magnetic, thermoelectric, and optoelectronic properties of three …
Ab-initio study of Nb-based complex materials: A new class of materials for optoelectronic applications
We have studied electronic, optical and spintronic properties of Nb based complex materials
NaNdANbO 6 F (A= Ti, Zr, Co, Ni) by using density functional theory (DFT) calculations …
NaNdANbO 6 F (A= Ti, Zr, Co, Ni) by using density functional theory (DFT) calculations …
Strain‐Induced Large Anomalous Nernst Effect in Polycrystalline Co2MnGa/AlN Multilayers
The anomalous Nernst effect (ANE), one of the thermoelectric effects in a magnet, is recently
attracting growing interest with its potential for the next generation high‐efficiency energy …
attracting growing interest with its potential for the next generation high‐efficiency energy …
Systematic study on the optoelectronic and elastic properties of Cu-based ternary chalcogenides: using ab-initio approach
The first principles-based GGA approach is used to investigate the elastic and optoelectronic
properties of Cu-based ternary chalcogenides QCu 3 Te 4 (Q= Ta, V, Nb) to explore their …
properties of Cu-based ternary chalcogenides QCu 3 Te 4 (Q= Ta, V, Nb) to explore their …
A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La2Tm2O7 (Tm = Hf, Zr)) for Energy …
A first-principles calculation based on DFT investigations on the structural, optoelectronic,
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
Shedding light on the structural, optoelectronic, and thermoelectric properties of pyrochlore oxides (La2Q2O7 (Q= Ge, Sn)) for energy applications: A first-principles …
This paper presents an analysis of the electronic, optical, and thermoelectric properties of
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
[HTML][HTML] Strain engineering of electronic structure and thermoelectric properties of quasi-hexagonal fullerene monolayer
R Wang, H Li, MA Shakoori, X Cheng, Y Hu… - Journal of Applied …, 2024 - pubs.aip.org
As a newly synthesized two-dimensional (2D) carbon material, monolayer quasi-hexagonal
phase fullerene (qHP C 60) has an excellent electronic structure and low thermal …
phase fullerene (qHP C 60) has an excellent electronic structure and low thermal …
First-principles calculations of structural, electronic, optical and thermoelectric properties of doped binary chalcogenides Sn1-xAxSe (A= Au and Ag) for energy …
The first-principles based DFT calculations were used to investigate the effect of transition
metal (TM) do** on structural, electronic, optical and thermoelectric properties of Sn 1-x A …
metal (TM) do** on structural, electronic, optical and thermoelectric properties of Sn 1-x A …
First-principles quantum analysis of structural, optoelectronic, thermoelectric and thermodynamic properties of niobium-based pyrochlore oxides A2Nb2O7 (A= Ba, Mg …
The present study employed first-principles DFT (density functional theory) computations to
investigate the impact of alkaline metal substitutions on the structural, optoelectronic …
investigate the impact of alkaline metal substitutions on the structural, optoelectronic …