[HTML][HTML] First-principles calculations to investigate elastic, electronic, optical and thermodynamic properties of Pt3X (X= Ti, Cu)
The several physical features including structural, mechanical, electronic, optical and
thermal properties of Pt 3 Ti and Pt 3 Cu have investigated here hypothetically for the first …
thermal properties of Pt 3 Ti and Pt 3 Cu have investigated here hypothetically for the first …
First principles study on the structural, elastic, electronic, optical and thermal properties of lead-free perovskites CsCaX3 (X= F, Cl, Br)
The physical properties included structural, mechanical, thermal and optical features of lead-
free perovskites CsCaX 3 (X= F, Cl, Br) have been investigated using ab ـinitio …
free perovskites CsCaX 3 (X= F, Cl, Br) have been investigated using ab ـinitio …
Structural, mechanical, electronic, optical and thermodynamic features of lead free oxide perovskites AMnO3 (A= Ca, Sr, Ba): DFT simulation based comparative study
Perovskite oxides with transition metals have been subjected to a lot of concern in the recent
time having their exclusive physical and chemical property. Due to ferroelectric character …
time having their exclusive physical and chemical property. Due to ferroelectric character …
Phase transition impact on electronic and optical properties of Fe-doped MoSe2 monolayer via N2O adsorption
Electronic and optical properties of Fe-doped MoSe 2 monolayer with (without) N 2 O gas
adsorption are reported in this paper. The impact of N 2 O gas adsorption on both the …
adsorption are reported in this paper. The impact of N 2 O gas adsorption on both the …
[HTML][HTML] First-principles calculations to investigate pressure effects on structural, elastic, electronic, optical and thermodynamic properties of AB2 (A= Hf, Zr, and BCo …
In present investigation, we elucidated the structural, elastic, optical, mechanical, electronic,
and thermodynamics properties of AB 2 (A= Hf, Zr, and Bdouble bondCo, W) laves phases …
and thermodynamics properties of AB 2 (A= Hf, Zr, and Bdouble bondCo, W) laves phases …
Ab-initio study of pressure influenced elastic, mechanical and optoelectronic properties of Cd0.25Zn0.75Se alloy for space photovoltaics
The optoelectronic properties of the ternary Cd0. 25Zn0. 75Se alloy are reported under the
influence of a high pressure ranging from 0 to 25 GPa, within a modified Becke–Jhonson …
influence of a high pressure ranging from 0 to 25 GPa, within a modified Becke–Jhonson …
The magnetic, optical and electronic properties of Mn–X (X= O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation
QZ Lang, YB Huang, JM Wei, Y Wang… - Materials Research …, 2020 - iopscience.iop.org
The magnetic and optical properties studies in monolayer transition-metal dichalcogenides
have attracted attention because of the manufacture spintronic, electronic and photonic …
have attracted attention because of the manufacture spintronic, electronic and photonic …
First-principles calculations to investigate elastic, electronic, optical, and thermodynamic properties of intermetallic elements Pt3T (T= Nb, Ru, Rh, Pd, and Ag)
Different significant properties as example structural stability, stiffness constants, hardness,
machinable index, band structure, interatomic bonding, optical, as well as thermal behavior …
machinable index, band structure, interatomic bonding, optical, as well as thermal behavior …
Tunable electronic structures, half-metallicity and optical properties in Fe-NM (NM= B, C, N) co-doped monolayer 2H–MoSe2
Z Lin, J Ye, Y An - Journal of Alloys and Compounds, 2019 - Elsevier
Abstract Exploring two-dimensional (2D) graphene-like materials with magnetic
characteristics has attracted intense research interest. Here, based on spin-polarized …
characteristics has attracted intense research interest. Here, based on spin-polarized …
Structural and Thermoelectronic Properties of Chalcopyrite MgSiX2 (X = P, As, Sb)
We have explored the structural, electronic, optical, and mechanical properties of the
magnesium-based chalcopyrites MgSiP 2, MgSiAs 2, and MgSiSb 2 using density functional …
magnesium-based chalcopyrites MgSiP 2, MgSiAs 2, and MgSiSb 2 using density functional …