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                             35 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab-initio calculations of the structural, electronic and optical response of KXCl3 (X = be, Ca and Sr) for optoelectronic applications Zia, Ayesha
33 C p.
 artikel
2 Ab initio prediction of half-metallicity in the NaMnZ2 (Z = S, Se, Te) ternary layered compounds Ghermoul, N.
33 C p.
 artikel
3 A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe,Sn,Pb,Zn,Cd,Hg,Mg,Ca,Sr,Ba) Pingak, Redi Kristian
33 C p.
 artikel
4 A numerical study of lattice dynamics of single BaFX (X = Cl, Br, and I) crystals Sabry, Abdelhadi
33 C p.
 artikel
5 Comparative first-principles study of the (TiZrHfNbTa)B2 high entropy solid solution and its constituent binary diborides Ivashchenko, V.I.
33 C p.
 artikel
6 Comparative study of the structural, electronic, optical and thermoelectric properties of LaNiZ (Z= Sb,Bi) compounds Addou, Oussama
33 C p.
 artikel
7 Density functional theory: The evaluation of structural, electronic, optical, and mechanical properties of WO3 Tse, Geoffrey
33 C p.
 artikel
8 DFT analysis of physical properties of quaternary MAX phase nitrides: (Fe0.5M0.5)2SiN (M = Cr & Mn) Azzouz-Rached, Ahmed
33 C p.
 artikel
9 Dielectric properties of ferroelectric methylammonium aluminium sulphate alum (MASD) crystal Khan, Muzaffar Iqbal
33 C p.
 artikel
10 Direct band gap double perovskite halide Cs2ScInCl6 for optoelectronic applications—A first principle study Dar, Suhail A.
33 C p.
 artikel
11 Effects of uniaxial strain on structural, electronic, and optical properties of LiNbO3: Ab-initio calculations Ait brahim, I.
33 C p.
 artikel
12 First principles calculations of the inorganic halide perovskite RbSnBr3: Optical and thermoelectric properties of its three phases Bouchikhi, Samira
33 C p.
 artikel
13 First-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M = Zn and Cd) Bouhmaidi, Soukaina
33 C p.
 artikel
14 First-principles calculations to investigate mechanical, thermodynamic and electronic properties of Al2CuMg intermetallic compound under pressure effect Feng, Yifei
33 C p.
 artikel
15 First principles investigations of optoelectronic and magnetic properties of co-doped zinc sulphide by 3d and 4f elements Hedjar, H.
33 C p.
 artikel
16 First principles study of adsorption and simulation of desorption properties of Pd 1 − x Ag x  surface alloy Awulachew, S.S.
33 C p.
 artikel
17 Improved thermoelectric, thermodynamic, and optical properties performance of double perovskites A2SnBr6 (A = Cs,K,Rb) from first-principles calculations El Rharib, A.
33 C p.
 artikel
18 Incorporation of Te in enhancing thermoelectric response of AeAg2SeTe (Ae = Sr, Ba) compounds: A DFT insight Behera, Debidatta
33 C p.
 artikel
19 Insulator–metal phase transition in novel Sr2OsTiO6 double perovskite via doping - Computational FP study Jayalakshmi, D.S.
33 C p.
 artikel
20 Interactions of amine functional group with Stone-Wales defects on single-walled carbon nanotubes: A theoretical study Ben Doudou, Bessem
33 C p.
 artikel
21 Lattice oxygen diffusion in YFeO3-δ perovskite: DFT study Gnidenko, A.A.
33 C p.
 artikel
22 Modulation of the optoelectronic properties of CdSe2 Thapa, B.
33 C p.
 artikel
23 Multipole moment description of passivants and complex pseudopotentials for semiconductor surfaces Cárdenas, J.R.
33 C p.
 artikel
24 Nitric oxide (NO) on VO2(010) surface: A density functional theory study with the standard GGA functional and effect of van der Waals dispersion Boungou, S.E.
33 C p.
 artikel
25 Pressure effect on the halide double perovskite Cs2TlBiCl6; Ab initio study Amor, Ali
33 C p.
 artikel
26 Quantum effects on the elastic properties of cubic boron nitride by path-integral Monte Carlo simulation Brito, B.G.A.
33 C p.
 artikel
27 Quantum modeling of interfacial scattering effect on tunneling conductance spectra of magnetic tunnel junction with ferromagnet/insulator/insulator/ferromagnet Pasanai, Krisakron
33 C p.
 artikel
28 Stabilities and half-metallic ferromagnets features of new quaternary Heusler alloys RhCoVX (X = Si, Ge and Sn). Ab-initio study Belkhir, Mohamed Lamine
33 C p.
 artikel
29 Structural and electrophysical perturbations in Y3+ doped BaCeO3 proton conducting electrolyte: A first principles approach Vignesh, D.
33 C p.
 artikel
30 Structural phase transition, elastic constants and thermodynamic properties of TmAs: A DFT study Amari, Sihem
33 C p.
 artikel
31 Structural stability, mechanical, and optoelectronic properties of new stable phases for the ternary alloy Mg–Cd–O Djezzar, N.E.H.
33 C p.
 artikel
32 Study of the electronic and opto-electronic properties of the perovskite KPbBr3 by DFT and TDDFT methods Idrissi, S.
33 C p.
 artikel
33 The first-principle study on structural, mechanical, electronic and optical properties of half-metallic CaMSi2O6 (M= Co, Fe, Mn) clinopyroxenes Fakhera, Fahmida
33 C p.
 artikel
34 The investigation of structural, electronic, optical, and mechanical properties of RGaO3 (R = Ca, Mg) perovskites for optoelectronic applications: A DFT study Rehman, Azka
33 C p.
 artikel
35 Theoretical investigation of the structural properties of SnSe 1 − x S x : A density functional study Pereira, Aercio F.F. de F.
33 C p.
 artikel
                             35 gevonden resultaten
 
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