Keywords: 71.20.-ب; 78.20.-e; 77.80.-e; 71.20.-b; Visible-light emission; Cu-ion implantation; Perovskite zirconate; Nanocrystals;
مقالات ISI 71.20.-ب (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Keywords: 71.20.-ب; 78.20.-e; 77.80.-e; 71.20.-b; BLT; KNMN; Photoluminescence; Gamma-ray irradiation;
An examination of the structural, electronic, elastic, vibrational and thermodynamic properties of Ru2YGa (Yâ¯=â¯Sc, Ti and V) Heusler alloys
Keywords: 71.20.-ب; 62.20.de; 71.15.Mb; 63.20.D-; 65; 71.20.-b; Elastic moduli; DFT; Phonon dispersion; Thermodynamic properties; Band structure;
Tailoring the electronic properties of zigzag graphene nanoribbons via sp2/sp3 edge functionalization with H/F
Keywords: 71.20.-ب; Graphene nanoribbon; Fluorine; Binding energy; Electronic structure; Half metal; 73.22.Pr; 31.15.E-; 71.20.-b; 85.75.-d;
Importance of spin-orbit coupling in power factor calculations for half-Heusler ANiB (AÂ =Â Ti, Hf, Sc, Y; BSn, Sb, Bi)
Keywords: 71.20.-ب; Half-Heusler; Spin-orbit coupling; Power factor; 72.15.Jf; 71.20.-b; 71.70.Ej; 79.10.-n;
Spin-polarization in filled-skutterudites LaFe4Pn12 (Pn=P, As and Sb)
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; Filled skutterudite; Spin polarization; Electronic band structure; Fermi surface; Electronic charge density distribution;
First-principles calculations of the structural, electronic and optical properties of In1âxBxAsyP1ây quaternary alloys lattice matched to InP and BeS
Keywords: 71.20.-ب; 61.66.Dk; 71.15.Ap; 71.15.Nc; 71.15.Mb; 71.20.Nr; 71.20.-b; FP-LAPW; DFT; In1âxBxAsyP1ây quaternary alloys; Lattice matched;
Reducible and non-reducible defect clusters in tin-doped indium oxide
Keywords: 71.20.-ب; 61.72.J; 71.20.-b; A. Semiconductors; C. Point defects;
An ab initio study of Co–Cr(V) disorder effects on the electronic structure and magnetic properties of Co2Cr1−xVxAl
Keywords: 71.20.-ب; 71.15.Mb; 75.20.Hr; 71.20.-b; 75.10.-bA. Metal; C. Crystal structure and symmetry; D. Electronic band-structure; D. Order–disorder effects
The first-principles studying LaOMnSe: A possible parent compound of superconductor
Keywords: 71.20.-ب; 74.25.Ha; 71.18.+y; 71.20.-b; Fermi surface; Band structure; Magnetism;
First-principles study of cadmium vacancy in CdWO4 crystal
Keywords: 71.20.-ب; 61.72.Bb; 71.15.Mb; 71.20.-b; 71.35.CcCdWO4 crystal; Cadmium vacancy; VF center; Optical properties
Ab initio studies on magnetism and hybridization of the ternary germanide Ce3Ni2Ge7
Keywords: 71.20.-ب; 71.15.Ap; 71.15.Mb; 71.20.-b; A. Magnetically ordered materials; D. Electronic band structure;
Pressure-induced structural transition in PuTe
Keywords: 71.20.-ب; 61.50.Ks; 71.15.Mb; 71.20.-b; Phase transformation; Electronic properties; Optical properties; FP-LAPW;
Electronic and thermodynamic properties of ReB2 under high pressure and temperature
Keywords: 71.20.-ب; 77.84.Bw; 71.20.-b; 65.40.-b; 71.15.MbA. ReB2; B. First-principles; C. Pressure effect; D. Thermodynamic properties
First-principles study on the electronic and optical properties of BiFeO3
Keywords: 71.20.-ب; 71.15.Ap; 71.15.Mb; 71.20.-b; 78.20.CiA. BiFeO3; D. Electronic structure; D. Optical properties; E. Ab initio
Energy gaps in a spacetime crystal
Keywords: 71.20.-ب; 03.30.+p; 71.20.Mq; 71.20.Nr; 71.10.-w; 71.20.-b; 85.40.-e
First principle study on the electronic structure of fluorine-doped SnO2
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 73.20.HbA. SnO2; B. Fluorine-doped; C. Electronic structure; E. First principles
Theoretical investigations on the elastic and thermodynamic properties of Ti2AlC0.5N0.5 solid solution
Keywords: 71.20.-ب; 71.20.-b; 62.20.D-; 81.05.JeFirst-principles; MAX phases; Elastic properties; Thermodynamic properties
Electronic and optical properties of Ti3+ doped α-Al2O3 crystals: First-principles calculations
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 78.20.CiA. Ti:α-Al2O3; D. Electronic structures; D. Optical properties; E. Ab initio
Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3
Keywords: 71.20.-ب; 71.20.-b; 71.15.Mb; 78.20.Ci; 74.25.GzA. Semiconductors; C. Crystal structure and symmetry; D. Electronic band structure; D. Optical properties
Potential ultra-incompressible material ReN: First-principles prediction
Keywords: 71.20.-ب; 61.50.Ah; 61.50.Ks; 62.20.-x; 71.15.Mb; 71.20.-b; 71.20.BeA. Metals; C. Crystal structure and symmetry; D. Elasticity; D. Electron–phonon interactions
Electronic structures and optical absorption of multilayer graphenes
Keywords: 71.20.-ب; 71.20.-b; 78.20.-e; 81.05.UwA. Graphene; D. Electronic structure; D. Optical properties
On the strong impact of doping in the triangular antiferromagnet CuCrO2
Keywords: 71.20.-ب; 71.20.-b; 72.20.Pa; 72.25.-bA. Conducting oxides; D. Thermoelectric power; D. Electronic band structure
Fermi velocity enhancement in monolayer and bilayer graphene
Keywords: 71.20.-ب; 71.20.-b; 78.20.-eA. Graphene; D. Electronic structure
First principles study of structural, electronic and vibrational properties of heavily boron-doped diamond
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 78.30.-j; 74.62.Dh; Boron-doped diamond; Structural stability; Electronic properties; Raman spectroscopy; First-principles calculations;
First principles studies of SnTiO3 perovskite as potential environmentally benign ferroelectric material
Keywords: 71.20.-ب; 71.15.Mb; 71.15.Nc; 71.20.-b; 75.10.Lp; 74.25.Ha; DFT; Ferroelectric materials; ASW; VASP; LDA; Phonons; Dielectric properties;
First-principles calculations of optical and magneto-optical properties of Ga1-xMnxAs and MnAs
Keywords: 71.20.-ب; Half-metallic ferromagnet; Diluted magnetic semiconductor (DMS); Magneto-optical Kerr effect (MOKE); Magnetic circular dichroism (MCD); 75.50.Pp; 78.20.Ls; 71.20.-b;
A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball
Keywords: 71.20.-ب; 71.15.-m; 71.20.-b; 73.22.fFireball; Ab initio tight-binding; GUI
Investigation of changes in crystal and electronic structures by hydrogen within LaNi5 from first-principles
Keywords: 71.20.-ب; 07.55.Jg; 71.20.-b; 71.23; Haucke phase; Hydride; DFT; VASP; ASW; Magnetic order; Chemical bonding; Bulk modulus; Electronic specific-heat coefficient;
First-principles study on electronic structure and elastic properties of Ti2SC
Keywords: 71.20.-ب; 71.20.-b; 62.20.D-; 81.05.Je;
Doping-insensitive density-of-states suppression in polycrystalline iron-based superconductor SmO1âxFxFeAs
Keywords: 71.20.-ب; 74.70.-b; 74.25.Jb; 79.60.-i; 71.20.-b; A. Iron-based superconductor; D. Superconducting gap and pseudogap; E. Angle-integrated photoemission spectroscopy;
Electronic structure and magnetic state of InCNi3
Keywords: 71.20.-ب; 71.20.-b; 71.20.Lp; 71.15.Nc; Electronic structures; Total energy calculations; Intermetallic compounds;
Magnetic order of LiCu2O2 studied by resonant soft x-ray magnetic scattering
Keywords: 71.20.-ب; 31.15.Ar; 71.20.-b; 32.10.Dk; A. Magnetically ordered materials; C. X-scattering; D. Phase transitions; E. Synchrotron Radiation;
Electronic and magnetic properties of YBa2Fe3O8 from a first-principles study
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 71.30.+h; 72.80.GaA. First-principles calculations; B. Magnetic properties; C. Y Ba2Fe3O8
Half-metallic ferromagnetism in Ca-doped AlN from first-principles study
Keywords: 71.20.-ب; 75.90.+w; 71.20.-b; 75.50.Pp; 71.55.Eq; A. Diluted magnetic semiconductors; A. Half-metallic ferromagnets; D. Magnetic properties; D. Electronic structure;
Elastic properties of Ta4AlC3 studied by first-principles calculations
Keywords: 71.20.-ب; 71.20.-b; 62.20.D-; 81.05.JeA. Ta4AlC3; D. First-principles calculations; D. Elastic properties
Theoretical investigations of the electronic and optical properties of wurtzite and metastable rock-salt ZnO
Keywords: 71.20.-ب; 71.20.Nr; 71.20.-b; 78.20.Ci; A. Semiconductors; A. Electronic materials; A. Optical materials and properties; B. Computer simulation;
First principles study on the electronic structure of the two chain compounds of [ M(N3)2(HCOO)][(CH3)2NH2] (M=Fe and Co)
Keywords: 71.20.-ب; 71.15.-m; 71.20.-b; 75.50.Xx; 75.50.PpA. Organic magnet; A. Magnetic semiconductors; D. First principles; D. Electronic structure
Electronic structure calculations of SrB4O7 and SrB4O7 :Eu crystals
Keywords: 71.20.-ب; 71.20.-b; 71.20.PsA. Insulator; D. Electronic band structure
Band structure and dielectric properties of orthorhombic SrZrO3
Keywords: 71.20.-ب; 71.20.-b; 63.20.-e; 78.30.-j; 77.22.-dA. SrZrO3; D. Band structure; D. Dielectric constant; D. Phonon modes
First-principles study of sulfur passivation of GaP(001) surfaces at one-monolayer coverage
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 71.20.Nr; 73.20.AtD. Density functional theory; D. Surface adsorption; D. GaP; D. Sulfur passivation
First-principle investigations of N doping in LiFePO4
Keywords: 71.20.-ب; 74.62.Dh; 71.20.-b; 66.30.Dn; 61.72.-yA. LiFePO4; A. N doping; D. Electronic band structure; D. Ion transport
Electronic structures, lattice dynamics, and electron–phonon coupling of simple cubic Ca under pressure
Keywords: 71.20.-ب; 71.20.Dg; 71.18.+y; 71.20.-b; 71.38.+iA. Superconductors; D. Electronic band structure; D. Electron–phonon interactions; D. Phonons
Magnetic ordering in trigonal chain compounds
Keywords: 71.20.-ب; 71.20.-b; 75.10.Pq; 75.30.EtDensity functional theory; Low-dimensional compounds; Magnetic chains; Geometrical frustration
First-principles calculations on the crystal and electronic structures of LaNi4.5Al0.5H6−xHex (x=0x=0, 0.5 and 1)
Keywords: 71.20.-ب; 61.50.Ah; 71.20.Lp; 71.20.-b; 63.20.dkA. Intermetallic compounds; C. Crystal structure; D. Electronic structure; D. First-principle theory
Evolution of the bonding mechanism of ZnO under isotropic compression: A first-principles study
Keywords: 71.20.-ب; 71.55.Gs; 71.15.Mb; 74.62.Fj; 71.20.-b; ZnO; LDA+U; Isotropic pressure; Bonding mechanism;
On the structural stability of ZnO phases
Keywords: 71.20.-ب; 62.20.D-; 71.15.Mb; 71.15.Nc; 71.20.-b; 71.55.GsA. Semiconductors; D. Elasticity
Density functional calculation of band-parameters for boron nitride at normal and high pressures
Keywords: 71.20.-ب; 71.15.Mb; 71.20.-b; 71.20.NrStructural properties; Electronic properties; Chemical bonding; Elastic properties; First-principles calculations; III-V Nitrides; Zinc-blende BN
Effects of Cu, N, and Li intercalation on the structural stability and electronic structure of cubic Cu3N
Keywords: 71.20.-ب; 62.20.D; 71.20.-b; 71.15.MbElastic constants; Electronic structures; First-principles
Soliton excitations in pernigraniline-base polymer: Effects of next-nearest-neighbor hopping
Keywords: 71.20.-ب; 71.10.Li; 71.20.-b; 71.35.-yA. Polymer; D. Electron–phonon interaction