| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative ab-initio investigation of the physical properties of cubic Laves phase compounds XBi2 (X = K, rb)
|
Hassan, Jahid
|
|
|
39 |
C |
p.
|
artikel
|
| 2 |
A comprehensive computational investigation on the physical properties of the chalcogenide ternary Y2ZnX4 (Y = In, Ga; X = S, Se) compounds
|
Asadi, Yaser
|
|
|
39 |
C |
p.
|
artikel
|
| 3 |
A computational study of rectification behavior of doped α-graphyne nanotubes
|
Zaminpayma, Esmaeil
|
|
|
39 |
C |
p.
|
artikel
|
| 4 |
A DFT study of structural, electronic, mechanical, optical, and hydrogen storage properties of quaternary hydride phase Li4BN3H10
|
Berri, Saadi
|
|
|
39 |
C |
p.
|
artikel
|
| 5 |
A pressure tunable optical and thermoelectric properties of Rb2CuSbX6 (X = cl, Br, and I) by FPLAPW+lo method
|
Shah, Syed Hatim
|
|
|
39 |
C |
p.
|
artikel
|
| 6 |
Combining mBJ exchange potential and bootstrap kernel of TDDFT to compute optical spectra of solids
|
Souza, J.S.
|
|
|
39 |
C |
p.
|
artikel
|
| 7 |
Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite
|
Saadon, Mariam Q.
|
|
|
39 |
C |
p.
|
artikel
|
| 8 |
DFT simulation to study the physical properties of ternary intermetallic materials ACuSb (A=Ca, Sr, Ba) for solar cell and TBC materials
|
Rima, Azizun Nesa
|
|
|
39 |
C |
p.
|
artikel
|
| 9 |
Dioxides transition metal monolayers: A first-principles calculations
|
Humánez-Tobar, Ángel
|
|
|
39 |
C |
p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
|
39 |
C |
p.
|
artikel
|
| 11 |
Elastic and thermal properties of selected 211 MAX phases: A DFT study
|
Arusei, G.K.
|
|
|
39 |
C |
p.
|
artikel
|
| 12 |
Elastic anisotropy, mechanical, lattice dynamics, and electronic properties of MPdZ (M = Hf, Zr, Ti; Z = Sn, Ge, Si). DFT study
|
Tindibale, Edward
|
|
|
39 |
C |
p.
|
artikel
|
| 13 |
Exploring half-metallicity and pressure-induced effect in inverse heusler alloys: First principle DFT investigations of Cr2XZ (X = Ni, Pd, Pt; Z = Al, Ga, Si, Ge)
|
Puthusseri, Narayanan Namboodiri
|
|
|
39 |
C |
p.
|
artikel
|
| 14 |
Exploring ZnFeSnO4 double spinel: A thorough investigation of mechanical, dynamical, magneto-electronic properties and lattice thermal conductivity
|
Hachilif, A.
|
|
|
39 |
C |
p.
|
artikel
|
| 15 |
Hydrostatic pressure response of semiconducting GaSb applying a semi-empirical approach
|
Benkara Mohammed, N.
|
|
|
39 |
C |
p.
|
artikel
|
| 16 |
Influence of functional group and their number of atoms on structural, electronic and optical properties of Sc2C MXenes: A DFT study
|
Shakil, M.
|
|
|
39 |
C |
p.
|
artikel
|
| 17 |
Investigation of electronic, elastic, dynamical, thermodynamic and thermoelectric properties of Cobalt based half-Heusler compounds
|
Musari, A.A.
|
|
|
39 |
C |
p.
|
artikel
|
| 18 |
Lattice dynamical and elastic properties of fluoride structure PbF2, CdF2 and their mixed superionic conductors PbxCd1-xF2
|
Kushwaha, A.K.
|
|
|
39 |
C |
p.
|
artikel
|
| 19 |
Metal–insulator transition and G-type antiferromagnetism in CaNbO 3 perovskite: Insight from DFT+U study
|
Priyambada, Aiswarya
|
|
|
39 |
C |
p.
|
artikel
|
| 20 |
Restoring the electronic properties of epitaxial graphene on SiC substrate by Ar intercalation
|
Pereyra Huelmo, C.
|
|
|
39 |
C |
p.
|
artikel
|
| 21 |
Structural, phonon, optical, electronic, and thermodynamic properties of NpX (X = S, Se, Te) chalcogenides: A DFT study
|
Bakar, Abu
|
|
|
39 |
C |
p.
|
artikel
|
| 22 |
Structure, electronic and thermoelectric properties of novel cubic Ir3V(1-x)Tix (x= 0.125, 0.25, 0.75, 0.875) refractory materials for high temperature applications
|
Sundareswari, M.
|
|
|
39 |
C |
p.
|
artikel
|
| 23 |
Tailoring the optoelectronic properties of MoS2 for broadband photodetection: Showcasing an Ab-into study involving the quasi-particle correction within the Green’s function-based approximation
|
Yamusa, Shehu Aminu
|
|
|
39 |
C |
p.
|
artikel
|
| 24 |
Two-dimensional III-nitrides: A comprehensive DFT and thermodynamics studies
|
Hussain, Imdad
|
|
|
39 |
C |
p.
|
artikel
|
| 25 |
Unravelling the structural, electronic, mechanical and thermoelectric properties of half-Heusler alloys NaYX (X = C, Si, Ge, Sn)
|
Grewal, Savita
|
|
|
39 |
C |
p.
|
artikel
|
| 26 |
Unveiling a novel silicene-like material: A DFT study on pentahexoctite-silicon and its optoelectronic characteristics
|
Lima, K.A.L.
|
|
|
39 |
C |
p.
|
artikel
|
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