| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio investigation of optoelectronic properties for elpasolite Cs2NaVCl6 using GGA+U approach: Band gap engineering
|
Bouadjemi, B.
|
|
|
26 |
C |
p.
|
artikel
|
| 2 |
Ab initio studies of structural, electronic and magnetic properties of Al1-xMnxN in zinc blende structure
|
Abu-Jafar, Mohammed S.
|
|
|
26 |
C |
p.
|
artikel
|
| 3 |
A density functional theory study of electric, magnetic and optical properties of perfect and defected Germanium Carbide (GeC) sheet
|
Zaminpayma, Esmaeil
|
|
|
26 |
C |
p.
|
artikel
|
| 4 |
A first principle study of structural, opto-electronic and thermoelectric properties of Sm filled skutterudite SmRu4Sb12
|
Chaki, T.
|
|
|
26 |
C |
p.
|
artikel
|
| 5 |
A theoretical (DFT) study of structural, mechanical and thermodynamic properties of manganese arsenides CsMn4As3 and RbMn4As3
|
Kholil, M.I.
|
|
|
26 |
C |
p.
|
artikel
|
| 6 |
Computational insights in predicting structural, mechanical, electronic, magnetic and optical properties of EuAlO3 cubic-perovskite using FP-LAPW method
|
Oudrane, D.
|
|
|
26 |
C |
p.
|
artikel
|
| 7 |
Cubic PbGeO3 perovskite oxide: A compound with striking electronic, thermoelectric and optical properties, explored using DFT studies
|
Dey, Aditya
|
|
|
26 |
C |
p.
|
artikel
|
| 8 |
DFT study of ferric ion interaction with passive layer on chalcopyrite surface: Elemental sulfur, defective sulfur and replacement of M2+(M=Cu and Fe) ions
|
Nourmohamadi, Hossein
|
|
|
26 |
C |
p.
|
artikel
|
| 9 |
Effect of halogenation on the optical and electronic properties of tetrathienoanthracene and tetrathionoacridine derivatives: A DFT study
|
Lazaar, Koussai
|
|
|
26 |
C |
p.
|
artikel
|
| 10 |
Elastic, electronic, vibrational and optical properties of filled skutterudite compound SrRu4As12: Insights from DFT-based computer simulation
|
Kholil, M.I.
|
|
|
26 |
C |
p.
|
artikel
|
| 11 |
Electronic fitness function, effective mass and thermoelectric properties of Rh-based (-ScTe; -TiSb; -VSn) alloys for thermoelectric generator applications
|
Adebambo, P.O.
|
|
|
26 |
C |
p.
|
artikel
|
| 12 |
Insight view of Hf2CrZ (Z = B, Ga, In, Si, Ge, Sn) Heusler materials via DFT calculations: A study on structural, electronic and magnetic properties
|
Dahmane, F.
|
|
|
26 |
C |
p.
|
artikel
|
| 13 |
Intrinsic mechanical properties of monolayer nickel ditelluride: An atomistic study
|
Jamil, Md Faiyaz
|
|
|
26 |
C |
p.
|
artikel
|
| 14 |
On the electronic properties of defective graphene buffer layer on 6H–SiC(0001)
|
Pereyra Huelmo, C.
|
|
|
26 |
C |
p.
|
artikel
|
| 15 |
Prediction of phonon-mediated superconductivity and charge density wave in charge doped 1T-HfTe2
|
Adam, Mukhtar Lawan
|
|
|
26 |
C |
p.
|
artikel
|
| 16 |
Structural, electronic and optical properties of A 2 S n B r 6 (A = K, Cs, and Rb) for photovoltaic applications: First-principles calculation
|
Kinani, M.A.
|
|
|
26 |
C |
p.
|
artikel
|
| 17 |
Study of structural, elastic, electronics, optical and thermodynamic properties of Hf2PbC under pressure by ab-initio method
|
Sarker, Sushmita
|
|
|
26 |
C |
p.
|
artikel
|
| 18 |
Temperature-dependent optical spectra in monolayer silicene
|
Salehi, H.
|
|
|
26 |
C |
p.
|
artikel
|
| 19 |
The effect of non-centrosymmetricity on optical and electronic properties of BaHfO3 perovskite
|
Ada, T.E.
|
|
|
26 |
C |
p.
|
artikel
|
| 20 |
The optical and elastic properties of strained ZnO by first principle calculations
|
Tse, Geoffrey
|
|
|
26 |
C |
p.
|
artikel
|
| 21 |
Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study
|
Nagura, Jonah
|
|
|
26 |
C |
p.
|
artikel
|
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