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                             36 results found
no title author magazine year volume issue page(s) type
1 About the gold properties and the approximations used to calculate high-pressure high-temperature properties Magomedov, Mahach N.
31 C p.
 article
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.
 article
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.
 article
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.
 article
5 An extensive computational report on the quinary alloys Cu2Zn1−xCdxSnS4 for the solar cell systems: DFT simulation Tagrerout, A.
31 C p.
 article
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.
 article
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.
 article
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.
 article
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.
 article
10 Electronic structure and thermoelectric properties of orthorhombic spinel-derived AgInSnS4 compound: First-principles investigation Benhalima, Z.
31 C p.
 article
11 Equation of state and thermoelastic properties of Mg2SiO4 Singh, P.K.
31 C p.
 article
12 First principles calculations of structural, electronic, elastic and thermodynamic properties of ZnNi3X (X = N and C) Mouchou, S.
31 C p.
 article
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.
 article
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.
 article
15 First-principles calculations to investigate transport properties of non-trivial fermions of CoSi Dutta, Paromita
31 C p.
 article
16 First-principles investigation of (Co and N)-doped B e S for potential use in spintronic applications Sina, K.
31 C p.
 article
17 First-principles prediction of stable Janus BiSbC3 monolayer with tunable electronic and optical properties under strain Zanouni, Mohamed
31 C p.
 article
18 First-principles prediction of strain-induced Dirac semimetal state and negative Poisson's ratio in TiZrB4 monolayer Pramchu, Sittichain
31 C p.
 article
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.
 article
20 First-principles study of magnetic properties of the cobalt doped silver copper sulfide Moshat, Sudipta
31 C p.
 article
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.
 article
22 Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach Meyer, Robert
31 C p.
 article
23 Investigation of electronic and optical properties of PbxSn1-xO2 for optoelectronic applications: A TB-mBJ DFT approach Mandal, Supantha
31 C p.
 article
24 Investigation of electronic stabilities and properties of Mn-doped Janus WSSe monolayer Srivastava, Mayank
31 C p.
 article
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.
 article
26 Magnetic behavior and Curie temperature of Dy doped MgSe: Ab-initio calculations Drissi, D.
31 C p.
 article
27 New half-metallic ferromagnetic oxides XBe3O4 (X=Li and Na) Keteb, Mohamed
31 C p.
 article
28 Path-integral Monte Carlo simulations on the thermodynamic properties of single-layer hexagonal boron nitride Brito, B.G.A.
31 C p.
 article
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.
 article
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.
 article
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.
 article
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.
 article
33 The effect of Sn doping on the structural, electronic and magnetic properties of rutile CrO2: A DFT approach Biswas, Sarajit
31 C p.
 article
34 Theoretical investigation of structural, electronic and mechanical properties of the hard LaB4 material Hamdi, R.
31 C p.
 article
35 Theoretical investigation of structural, energetic and magnetic properties of B2 type MnM alloys, DFT and data mining approach Benaissa, Mohammed
31 C p.
 article
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.
 article
                             36 results found
 
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