nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
About the gold properties and the approximations used to calculate high-pressure high-temperature properties
|
Magomedov, Mahach N. |
|
|
31 |
C |
p. |
artikel |
2 |
A comparative study in rocksalt and zincblende structured binary and doped alkaline earth pnictides SrP and SrAs by first-principles perspective
|
Nabi Lone, Ikram Un |
|
|
31 |
C |
p. |
artikel |
3 |
A DFT study of electronic, optical and thermoelectric properties of Ge-halide perovskites CsGeX3 (X=F, Cl and Br)
|
Bouhmaidi, Soukaina |
|
|
31 |
C |
p. |
artikel |
4 |
A DFT study on the electronic structure, magnetic and optical properties of Er doped ZnO: Effect of Er concentration and native defects
|
Achehboune, Mohamed |
|
|
31 |
C |
p. |
artikel |
5 |
An extensive computational report on the quinary alloys Cu2Zn1−xCdxSnS4 for the solar cell systems: DFT simulation
|
Tagrerout, A. |
|
|
31 |
C |
p. |
artikel |
6 |
A systematic DFT study of (Ti3/2 RE 1/2)AlC alloys: A new database for adjustable mechanical and electronic properties
|
Meftah, C. |
|
|
31 |
C |
p. |
artikel |
7 |
Density functional study of electronic, elastic and optical properties of GaA s 1 − x N x (x=0, 0.25, 0.50, 0.75, 1) alloys
|
Noorafshan, Maryam |
|
|
31 |
C |
p. |
artikel |
8 |
DFT study of structural, electronic, magnetic, elastic, vibrational, thermodynamic and thermoelectric properties of XCrP (X= Ni, Pd and Pt)
|
El haoua, M. |
|
|
31 |
C |
p. |
artikel |
9 |
Effect of doping with sulfur atoms on the electronic and photocatalytic properties of the ZnO(10 1 ‾ 0) surface: A DFT+U study
|
Lahmer, M.A. |
|
|
31 |
C |
p. |
artikel |
10 |
Electronic structure and thermoelectric properties of orthorhombic spinel-derived AgInSnS4 compound: First-principles investigation
|
Benhalima, Z. |
|
|
31 |
C |
p. |
artikel |
11 |
Equation of state and thermoelastic properties of Mg2SiO4
|
Singh, P.K. |
|
|
31 |
C |
p. |
artikel |
12 |
First principles calculations of structural, electronic, elastic and thermodynamic properties of ZnNi3X (X = N and C)
|
Mouchou, S. |
|
|
31 |
C |
p. |
artikel |
13 |
First-principles calculations to investigate structural, elastic, electronic and optical properties of A2OsH6 for storage hydrogen and optoelectronic devices
|
Menakh, Sarra |
|
|
31 |
C |
p. |
artikel |
14 |
First-principles calculations to investigate structural, electronic and phonon properties of sodium bromide (NaBr) and sodium iodide (NaI) crystals
|
Kesek, Mesut |
|
|
31 |
C |
p. |
artikel |
15 |
First-principles calculations to investigate transport properties of non-trivial fermions of CoSi
|
Dutta, Paromita |
|
|
31 |
C |
p. |
artikel |
16 |
First-principles investigation of (Co and N)-doped B e S for potential use in spintronic applications
|
Sina, K. |
|
|
31 |
C |
p. |
artikel |
17 |
First-principles prediction of stable Janus BiSbC3 monolayer with tunable electronic and optical properties under strain
|
Zanouni, Mohamed |
|
|
31 |
C |
p. |
artikel |
18 |
First-principles prediction of strain-induced Dirac semimetal state and negative Poisson's ratio in TiZrB4 monolayer
|
Pramchu, Sittichain |
|
|
31 |
C |
p. |
artikel |
19 |
First-principles quantum-computational analysis on the interplay between intermagnetic and intermetallic properties of lead-doped cerium-bismuthides CePbxBi1-x: A new example of heavy-fermionic magnetic conductors
|
Iqbal Bashir, Azmat |
|
|
31 |
C |
p. |
artikel |
20 |
First-principles study of magnetic properties of the cobalt doped silver copper sulfide
|
Moshat, Sudipta |
|
|
31 |
C |
p. |
artikel |
21 |
Influence of Nd concentrations on the structural, electronic and optical properties of anatase TiO2: A first-principles approach
|
Samat, M.H. |
|
|
31 |
C |
p. |
artikel |
22 |
Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach
|
Meyer, Robert |
|
|
31 |
C |
p. |
artikel |
23 |
Investigation of electronic and optical properties of PbxSn1-xO2 for optoelectronic applications: A TB-mBJ DFT approach
|
Mandal, Supantha |
|
|
31 |
C |
p. |
artikel |
24 |
Investigation of electronic stabilities and properties of Mn-doped Janus WSSe monolayer
|
Srivastava, Mayank |
|
|
31 |
C |
p. |
artikel |
25 |
Investigations of structural, electronic, magnetic, and thermoelectric properties of laves phase intermetallic XZn2(X=Zr/Hf) compound: DFT study
|
Patel, Pratik D. |
|
|
31 |
C |
p. |
artikel |
26 |
Magnetic behavior and Curie temperature of Dy doped MgSe: Ab-initio calculations
|
Drissi, D. |
|
|
31 |
C |
p. |
artikel |
27 |
New half-metallic ferromagnetic oxides XBe3O4 (X=Li and Na)
|
Keteb, Mohamed |
|
|
31 |
C |
p. |
artikel |
28 |
Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride
|
Brito, B.G.A. |
|
|
31 |
C |
p. |
artikel |
29 |
Structural and optoelectronic properties of the Cs2InMCl6 (M: Sb, Bi, Ag) double perovskite compounds: A first-principles study
|
Mahmoudzadeh Pirvahshi, Mojtaba |
|
|
31 |
C |
p. |
artikel |
30 |
Structural, electronic and optical properties of B e 2 X ( X = C , S i , G e , S n ) : First principle study
|
Gupta, Prakash Chanda |
|
|
31 |
C |
p. |
artikel |
31 |
Study of different structures derives of β − C u 3 A l by means of ab-initio calculations and Quasi-Harmonic Approximation
|
Alés, Alejandro |
|
|
31 |
C |
p. |
artikel |
32 |
Study of the thermodynamic properties of SrTiO3 perovskite under pressure by the statistical moment method with the improved interatomic potential
|
Phuong, Cao Huy |
|
|
31 |
C |
p. |
artikel |
33 |
The effect of Sn doping on the structural, electronic and magnetic properties of rutile CrO2: A DFT approach
|
Biswas, Sarajit |
|
|
31 |
C |
p. |
artikel |
34 |
Theoretical investigation of structural, electronic and mechanical properties of the hard LaB4 material
|
Hamdi, R. |
|
|
31 |
C |
p. |
artikel |
35 |
Theoretical investigation of structural, energetic and magnetic properties of B2 type MnM alloys, DFT and data mining approach
|
Benaissa, Mohammed |
|
|
31 |
C |
p. |
artikel |
36 |
The use of principal component analysis (PCA) and partial least square (PLS) for designing new hard inverse perovskites materials
|
Saidi, Fatiha |
|
|
31 |
C |
p. |
artikel |