| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation of structural, electronic, and optical properties of TlxGa1-xAs ternary alloys
|
Nikoo, A.M.
|
|
|
25 |
C |
p.
|
artikel
|
| 2 |
Ab-initio investigation of optoelectronic and thermoelectric properties in new p-type Rattling Heuslers Sr2PtX (X=Se and Te)
|
Mana, M.
|
|
|
25 |
C |
p.
|
artikel
|
| 3 |
Ab initio study of Sc3MO (M = Al, Ga, In, Tl) and systematics in Sc3MZ (Z = B, C, N, O)
|
Ghule, A.S.
|
|
|
25 |
C |
p.
|
artikel
|
| 4 |
A DFT investigation of electronic, elastic, and thermal properties of 3d transition metal carbides –TMC (TM = Sc–Zn)
|
Priyanka D Ms., Shobana
|
|
|
25 |
C |
p.
|
artikel
|
| 5 |
Adsorption of arsenic trihydride ( A s H 3 ) on palladium oxide (PdO) surface (001): ab initio study
|
Mbakou-Mbodo, C.A.
|
|
|
25 |
C |
p.
|
artikel
|
| 6 |
Application of an inverse-design method for designing new branched thiophene oligomers for bulk-heterojunction solar cells
|
Khazaal, Abdullah S.
|
|
|
25 |
C |
p.
|
artikel
|
| 7 |
ATiO3/TiO (A=Pb, Sn) superlattice: Bridging ferroelectricity and conductivity
|
Raza, S.
|
|
|
25 |
C |
p.
|
artikel
|
| 8 |
Computational study of the magnetic and electronic properties of the LiMgN( Vc 1-x Z x ) and LiMg( N 1-x Z x ) alloys where Z is B, C or S
|
Ziat, Younes
|
|
|
25 |
C |
p.
|
artikel
|
| 9 |
Electrical doping in single walled carbon nanotube systems: A new technique
|
Parvaiz, M. Shunaid
|
|
|
25 |
C |
p.
|
artikel
|
| 10 |
Electronic, elastic, thermodynamic and vibrational properties of Li6BeZrF12: Insights from DFT-based computer simulation
|
Serir, N.
|
|
|
25 |
C |
p.
|
artikel
|
| 11 |
First principle calculation of mechanical stability, opto-electronic and thermo-electric properties of TaIrGe 1-x Sn x (0 ≤ x ≤ 1) Half-Heusler alloy
|
Hussain, Aamir
|
|
|
25 |
C |
p.
|
artikel
|
| 12 |
First-principles investigations of the 3d, 4d, and 5d effect on transition metals substitutions for Fe on the electronic and magnetic properties of Fe48.15TM1.85 Al50
|
Samudio Pérez, Carlos Ariel
|
|
|
25 |
C |
p.
|
artikel
|
| 13 |
First principles study of structural, electronic and optical properties of orthorhombic phase Ni-doped Bi2Se3 using density functional theory
|
Mohyedin, M.Z.
|
|
|
25 |
C |
p.
|
artikel
|
| 14 |
Half-metallicity in M n and V doped tin-carbide SnC
|
El-Achari, T.
|
|
|
25 |
C |
p.
|
artikel
|
| 15 |
High-pressure phase transition, elastic properties and lattice vibration modes in Rb2S compound material
|
Saib, S.
|
|
|
25 |
C |
p.
|
artikel
|
| 16 |
Influence of external electric field on electronic and magnetic properties of doped boron nitride monolayer: Theoretical study
|
Al-Sharif, Abdullah
|
|
|
25 |
C |
p.
|
artikel
|
| 17 |
Pressure effect on the structural, electronic, and thermal properties of chalcopyrite compounds MgSiAs2 and BeSiAs2
|
Amrani, M.
|
|
|
25 |
C |
p.
|
artikel
|
| 18 |
Study of the impact due to spin-orbit coupling effect on the optical properties of InP1−xSbx alloys in mid-infrared applications: A DFT approach
|
Das, Utsa
|
|
|
25 |
C |
p.
|
artikel
|
| 19 |
Study of the structural and electronic properties of three- and two-dimensional transition-metal dioxides using first-principles calculations
|
Tobar, Ángel Humanez
|
|
|
25 |
C |
p.
|
artikel
|
| 20 |
The performance of various GGA and LDA based mixed and improved exchange-correlation functionals for ZnO and ZnO:Mn: A first principles study
|
Karimi, Somaye
|
|
|
25 |
C |
p.
|
artikel
|
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