| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab-initio calculation of the structural, electronic, optical and transport properties of SbNSr3 ternary nitride compound
|
Salehi, H.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 2 |
Ab-initio investigations of the structural, electronic, magnetic and optical properties of Ca1-xEuxLiF3 fluoroperovskite
|
Mahmoud, Nada T.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 3 |
Absorption and diffusion of lithium on layered InSe
|
Zhang, Xiuying
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 4 |
An ab initio study on the transition path of carbon dioxide at high pressure: Evidence for a new intermediate P 4 ‾ m 2 phase
|
Benabdelkader, I.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 5 |
Calculations within DFT framework of the electronic and optical properties of quaternary sulfide Tl2PbSiS4, a prospective optoelectronic semiconductor
|
Vu, Tuan V.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 6 |
Combined ab-initio and Schrödinger-Poisson simulation study of spontaneous and piezoelectric polarizations effects on I–V characteristics of ZnO/MgxZn1-xO heterostructures
|
Ait Adi, S.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 7 |
Defects and dopant properties of SrSnO3 compound: A computational study
|
de Freitas, Sabrina M.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 8 |
Density functional theory within spin-orbit coupling and hubbard correction for investigation of optoelectronic properties of the orthorhombic perovskite LaPdO3
|
Goumri-Said, Souraya
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 9 |
DFT simulations of optoelectronic and elastic features of cubic samarium zirconate (Sm2Zr2O7)
|
Irfan, Muhammad
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 10 |
DFT study on electronic and optical properties of halogen-adsorbed hexagonal boron nitride
|
Ravan, Bahram Abedi
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 11 |
Effect of hydrostatic pressure and the emergence of half metallic ferromagnetism in rhodium oxide - A DFT+U perspective
|
Sirajuddeen, M. Mohamed Sheik
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 12 |
Effect of pressure and Hubbard potential on the electronic and magnetic properties of thorium monopnictides ThPn (Pn = N, P, As, Sb, Bi) in respect of crystal field splitting, charge transfer and spin flipping of magnetic moments
|
Siddique, Muhammad
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 13 |
Effects of Y atom substitution on the structural, magnetic, electronic, elastic, mechanical, thermodynamic and thermoelectric properties of Co2YAl (Y = Cr, Mn) Full Heusler alloys from first principles investigations
|
Sunmonu, R.S.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 14 |
Electronic structure, chemical bonding, optical, elastic and dynamical properties of MeB2 compounds: Effect of transition metal Me = Sc, Ti and Zr
|
Hoat, D.M.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 15 |
First Brillouin zone-centre phonon frequencies and elastic stiffness of the Ln2Hf2O7 (Ln = La, Nd, Sm and Eu) pyrochlore
|
Kushwaha, A.K.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 16 |
First-principles calculation of (Al,Ga) co-doped ZnO
|
Khuili, M.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 17 |
First-principles calculations of electronic band structure and optical properties of ternary semiconductors Cd4P2Cl3 and Cd4P2Br3
|
Barman, Niharendu
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 18 |
First principles comparative studies of thermoelectric and other properties in the cubic and hexagonal structure of CsCdCl3 halide perovskites
|
Agbaoye, Ridwan O.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 19 |
First principles investigation of magnetic new carbon-rich layered compounds UC n (n= 2, 6, 12)
|
Matar, Samir F.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 20 |
First principles prediction of the solar cell efficiency of chalcopyrite materials AgMX2 (M=In, Al; X=S, Se, Te)
|
Dongho-Nguimdo, G.M.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 21 |
First principles studies of CsLnCdTe3 (Ln = Gd−Tm) for green energy resources
|
Khan, Imad
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 22 |
First principles study of single and multi-site transition metal dopant ions in MoS2 monolayer
|
Obodo, Kingsley Onyebuchi
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 23 |
First-principles study of structural, electronic, elastic, thermodynamic and optical properties of topological superconductor LuPtBi
|
Majumder, Rinku
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 24 |
First-principles study on structural, mechanical, and magneto-electronic properties in new half-metallic perovskite LiBeO3
|
Khelfaoui, Friha
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 25 |
Full potential study of the structural, electronic and optical properties of (InAs)m/(GaSb)n superlattices
|
Caid, M.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 26 |
Induced rectification behavior in armchair SiC nanoribbon by Al and P doping
|
Zaminpayma, Esmaeil
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 27 |
Investigation of high figure of merit in semiconductor XHfGe (X = Ni and Pd) half-Heusler alloys: Ab-initio study
|
Bendahma, F.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 28 |
Investigation of the thermal conductivity in nanographene C80H30 by molecular dynamics simulation
|
Silva Dias, Flávio
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 29 |
Magnetic properties of transition metal doped SnO2: A detailed theoretical study
|
Roy, Sujata
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 30 |
Predicted dynamically stable new phase for CrO2 compound: DFT + U calculations
|
Bendaoud, H.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 31 |
Pressure effect on the structural, elastic and thermodynamic properties of the BeP2N4 compound: First-principles investigation
|
Beldjoudi, K.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 32 |
Results of optical and thermal study of lead sulfide (PbS), Barium sulfide (BaS) and their ternary (Pb1-xBaxS) (0≤x≤1)alloys
|
Sifi, C.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 33 |
Site dependent substitution and half-metallic behaviour in Heusler compounds: A case study for Mn2RhSi, Co2RhSi and CoRhMnSi
|
Ghosh, Srikrishna
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 34 |
Structural and physical properties of intermetallic compounds Re3Pd2Sn2, (Re= Yb, Eu)
|
Mounis, Noureddine
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 35 |
Structural, electronic, elastic and thermodynamic properties of Al1-x Z x Ni (Z=Cr, V and x= 0, 0.125, 0.25) alloys: First-principle calculations
|
Yalameha, Shahram
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 36 |
Structural, mechanical, electronic structure and thermoelectric properties of Dirac semimetallic SrIrO3 compound: A first-principles study
|
Marbouh, N.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 37 |
Structural stability of scandium monochalcogeides ScS and ScSe under pressure and superconductivity: A first principles study
|
Shrivastava, Deepika
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 38 |
Structural stability of uranium carbide (UC) under high pressure: ab-initio study
|
Sahoo, B.D.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 39 |
Study of the linear and nonlinear response properties of the zinc-blende AlP, GaP and their AlxGa1-xP ternary alloys using first principle calculations
|
Asadi, Y.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 40 |
The effect of growth conditions and vacancies on the electronic and mechanical properties of cubic Mo2N; A DFT study
|
Lahmer, M.A.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 41 |
Theoretical investigation of electronic and thermoelectric properties of spinel sulfides A2BS4 (A=Sc and Y; B= Cd and Zn)
|
Yakhou, H.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 42 |
Theoretical prediction of the structural, elastic, electronic, and thermodynamic properties of the Nowotny-Juza LiMgAsxSb1-x alloy
|
Bounab, S.
|
|
2019
|
21 |
C |
p.
|
artikel
|
| 43 |
Tuning the electronic structure and magnetic coupling in armchair B2S nanoribbons using strain and staggered sublattice potential
|
Zare, Moslem
|
|
2019
|
21 |
C |
p.
|
artikel
|
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