Keywords: 71.20.-ب; 79.60.âi; 71.20.âb; 71.27.+a; Hard X-ray photoemission; Correlated materials; Electronic structure; Chemical bonding; Photoionization cross section; Photoelectron angular distribution;
مقالات ISI 71.20.-ب (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Inducing half-metallicity with enhanced stability in zigzag graphene nanoribbons via fluorine passivation
Keywords: 71.20.-ب; 73.22.Pr; 31.15.Eâ; 71.20.âb; 85.75.âd; Graphene nanoribbon; Fluorine; Electronic structure; Half-metal;
Hybrid density functional based study on the band structure of trioctahedral mica and its dependence on the variation of Fe2+ content
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 91.60.Lj; Hybrid-DFT; Trioctahedral mica; Bandstructure; Iron;
Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blue
Keywords: 71.20.-ب; 31.15.Eâ; 71.15.Mb; 71.20.âb; TiO2; Codoping; Visible-light photocatalyst; Density functional theory;
Fermi surface topology of deuterium-doped vanadium: Compton scattering study
Keywords: 71.20.-ب; 71.18.+y; 71.20.âb; 71.23.âk; 78.70.Ck; 31.15.A; Metal hydride; Fermi surface; Electronic structure; Compton scattering;
Textural and electronic characteristics of mechanochemically activated composites with nanosilica and activated carbon
Keywords: 71.20.-ب; 61.43.âj; 67.30.hp; 71.20.âb; 71.23.âk; 73.20.At; 73.63.âb; Nanosilica; Activated carbon; Nanosilica/AC composites; Mechanochemical activation; USXES; Structural characteristics;
Structural stability and optical properties of AlN explored by ab initio calculations
Keywords: 71.20.-ب; Phase transitions; Electronic properties; Optical properties; 61.50.Ks; 71.15.Mb; 71.20.âb; 78.20.Ci;
Optical polarized properties of the F2 center in YAlO3 crystal
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 78.20.Ci; YAP crystal; F2 center; Electronic structures; Optical properties;
Study on the doping mechanism and electronic structure for Nb5+ doping PbWO4 crystals
Keywords: 71.20.-ب; 71.20.âb; 78.20.Ci; 61.72.Ji; 61.72.Bb; PbWO4; Doping; Charge-compensating mechanism; Computer simulation; Electronic structure;
Correlation between microhardness and electronic charge density of hafnium hydrides
Keywords: 71.20.-ب; 62.20.âx; 71.20.âb; Hafnium hydride; Vickers microhardness; Electronic structure; Charge transfer;
Thermal response to electronic structures of bulk semiconductors
Keywords: 71.20.-ب; 71.15.âm; 71.15.Dx; 71.15.Ap; 71.20.âb;
First-principles study on structural properties and phase stability of III-phosphide (BP, GaP, AlP and InP)
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 71.20.Nr; 71.55.Eq; III-Phosphide (BP, GaP, AlP, InP); Lattice parameter; Bulk modulus; Pressure; Phase transition; FP-LAPW+lo; GGA;
Transition behaviors from coupled-to-uncoupled CdTe-ZnTe symmetric versus asymmetric double quantum wells
Keywords: 71.20.-ب; 71.55.Jv; 71.25.Mg; 71.20.âb; 71.50.+t; 73.20.Fz; Semiconductor compounds; II-VI Semiconductors; Quantum wells;
Theoretical study of p-d hybridization in Co perovskite
Keywords: 71.20.-ب; 71.20.âb; 75.25.+z; 75.47.Gk; 75.50.ây; Recursion methods; Hartree-Fock approximation; Density of state; p-d hybridization; Double-exchange effect;
First-principles study on the electronic structure and the ferromagnetic properties of the cyano-bridged bimetallic compound Mn2(H2O)5Mo(CN)7·4H2O (α phase)
Keywords: 71.20.-ب; 75.50.ây; 71.15.âm; 71.20.âb; FP-LAPW; Magnetic properties; Electronic structure;
Thermoelectric properties of Gd, Y co-doped Ca3Co4O9+δ
Keywords: 71.20.-ب; 72.15.Jf; 71.20.âb; Polyacrylamide gel method; Thermoelectric properties; Polaronic hopping conduction; Impurity compensation effect; Impurity scattering;
Optical Bloch oscillation and resonant Zener tunneling in one-dimensional quasi-period structures containing single negative materials
Keywords: 71.20.-ب; 42.15.Dp; 71.20.âb; 42.25.Hz; 78.67.Pt;
Charge-density waves in pure and intercalated Nb3Te4
Keywords: 71.20.-ب; 71.18.+y; 71.20.âb; 71.45.Lr; 73.90.+f; Low-dimensional structures; Nb3Te4; Electronic properties; Charge-density waves;
Theoretical investigation on structural, magnetic and electronic properties of ferromagnetic GdN under pressure
Keywords: 71.20.-ب; 71.20.âb; 31.15.aq; 82.60.Fa; 75.20.Hr; Band structure; Tight-binding calculations; Half-metallic; Phase transition; Magnetic properties;
Mapping of valence energy losses via energy-filtered annular dark-field scanning transmission electron microscopy
Keywords: 71.20.-ب; 71.20.âb; 73.20.At; 68.37.Ma; 25.55.Ci; EFTEM; EF-STEM; EELS; Band-gap;
First principles study on the elastic properties and electronic structures of (Fe, Cr)3C
Keywords: 71.20.-ب; 71.20.âb; 71.15.Nc; 71.20.Be; 65.40.Gr; Ab initio calculations; Electronic structure of bulk materials; Magnetic; Mechanical properties;
The effect of B site cations on optical properties of paraelectric KTa1/2Nb1/2O3 crystal
Keywords: 71.20.-ب; 71.15.Mb; 71.15.âm; 71.15.Ap; 71.20.âb; 71.23.âk; Density functional theory; KTa1/2Nb1/2O3; Reflectivity; Refractive index; Extinction coefficient; Optical conductivity;
The effect of local ordering on the structure phase transition in disordered KTa1/2Nb1/2O3 from first principles studies
Keywords: 71.20.-ب; 71.15.Mb; 71.15.âm; 71.15.Ap; 71.20.âb; 71.23.âk; Density functional theory; Structure phase transition; KTa1/2Nb1/2O3; Local ordering; Generalized gradient approximation;
First-principles study on electronic structures of BaWO4 crystals containing F-type color centers
Keywords: 71.20.-ب; 61.72.Ji; 61.72.Bb; 71.15.âm; 71.20.âb;
Magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12
Keywords: 71.20.-ب; 71.20.âb; 78.20.âe; 71.15.Ap; First-principle; Filled skutterudite; Optical property;
Surface and transport studies on La0.7Ba0.3MnO3:SnO2 bilayer
Keywords: 71.20.-ب; 71.20.âb; 73.21.Ac; 73.40.Qv; 74.25Fy; Manganites; Semiconductors; Transport; Atomic force microscopy;
Investigation of the electronic structure of the BiSBr and BiSeBr clusters by density functional method
Keywords: 71.20.-ب; 21.60.Gx; 36.40.âc; 61.50.Ah; 71.20.âb; 73.22.âf; BiSBr; BiSeBr; Molecular cluster; Total density of states; Structure of valence bands and core levels;
Theoretical study of the density of states and magnetic properties of electron-doped Sr1âxCexCoO3 compounds
Keywords: 71.20.-ب; 71.20.âb; 75.25.+z; 75.47.Gk; 75.50.ây; Recursion method; Hartree-Fock approximation; Density of state; Doping concentration; Spin state; Magnetic ground state;
First principles study on the formation of yttrium nitride in cubic and hexagonal phases
Keywords: 71.20.-ب; 71.15.Nc; 71.20.âb; 71.20.Be; 71.20.Lp; 71.20.Nr; 72.80.Ga; Yttrium nitride; Interstitial alloys; Transition metal nitrides; Ab initio; DFT; LAPW;
Electronic and magnetic properties and their response to pressure in Ni2MnB
Keywords: 71.20.-ب; 71.15.Nc; 71.20.Be; 71.20.âb; 75.20.Hr; 74.62.Fj; Transition metals and alloy; Total energy and cohesive energy calculation; Electron density of state; Magnetic moment; Pressure behavior;
Competition between ferromagnetic and antiferromagnetic interaction in monoclinic LiMnO2
Keywords: 71.20.-ب; 75.50.Lk; 71.15.Nc; 71.20.âb; 71.70.Ej; First-principles calculation; Monoclinic LiMnO2; Spin-glass state; Electronic structure; Magnetic interaction;
First principle calculation for structural properties and bowing parameter in Ga1âxMnxN materials
Keywords: 71.20.-ب; 31.15.Ew; 71.15.Mb; 71.20.âb; 71.45.Lr; 75.50.Pp; 74.25.Jb; 71.55.Eq; FP-LMTO; LDA; Bowing parameter; DMS;
First-principles study of heavily B-doped silicon
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 71.55.Cn; 74.62.Dh; Boron-doped silicon; Superconducting transition; B concentration;
Investigation of hole states near the Fermi level in Nb1âxMgxB2 by electron energy-loss spectroscopy and first-principles calculations
Keywords: 71.20.-ب; 74.25.Jb; 71.20.âb; 74.62.Dh; 79.20.Uv; Electron energy-loss spectra; Density functional theory; Nb1âxMgxB2; Superconductivity;
Electronic structure and magnetic properties of the ThCo4B compound
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 71.20.Eh; 74.25.H; Electronic band structure; Magnetic moment; Density of state;
The effect of excess titanium and crystal symmetry on electronic properties of Pb(Zr1âxTix)O3 compounds
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 77.90.+k; Density functional theory; Electron density of states; Band structure of crystalline solids; Piezoelectrics; Ferroelectrics;
An ab initio study of the adsorption and dissociation of molecular oxygen on the (0Â 0Â 0Â 1) surface of double hexagonal close-packed americium
Keywords: 71.20.-ب; 71.20.âb; 68.35.âp; 71.27.+a; 68.43.âh; Density functional theory; Molecular and dissociative adsorption; Double hexagonal close-packed americium; Molecular oxygen;
Low-temperature visible photoluminescence and optical absorption in Tl2In2Se3S semiconductor
Keywords: 71.20.-ب; 71.20.âb; 71.20.Nr; 78.20.âe; 78.55.âm; Photoluminescence; Semiconductors; Layered crystals; Defect levels;
Structural and electronic properties of Zn1âxMgxSySe1ây alloys
Keywords: 71.20.-ب; 61.66.Dk; 71.15.Ap; 71.15.Mb; 71.20.âb; FP-LAPW; DFT; Band structures; Quaternary alloy; Lattice matched;
Electronic structure and anomalous photoemission line-shape of quasi-2D oxide η-Mo4O11
Keywords: 71.20.-ب; 71.45.Lr; 79.60.âI; 71.20.âb; 71.18.+y; Photoelectron spectroscopies; Charge density waves; Electronic structure; Low-dimensional solids;
First-principles study on the metallic antiferromagnet Co[PhPO3]·H2O
Keywords: 71.20.-ب; 71.15.âm; 71.20.âb; 75.50.ây; First principles; Electronic structure; Magnetic properties; Transition metal phosphonate;
Spin distribution and electronic structure of the ferromagnetic half-metal [Mn(bipy)(N3)2]: Ab initio study
Keywords: 71.20.-ب; 71.15.mb; 71.20.âb; 74.25.Jb; Density functional theory; Density of states; Magnetic properties;
Is ÎÏ-gap-only superconductivity possible in Mg1âxAlxB2 and Mg(B1âyCy)2 alloys?
Keywords: 71.20.-ب; 71.20.âb; 71.20.Be; 74.25.Jb; 71.15.Nc; Superconductivity; Disorder; Local-density; Approximation;
First-principles studies on the conductive and ferromagnetic properties of [Mn(ins)(μ1,1-N3)(CH3OH)]2
Keywords: 71.20.-ب; 71.15.Mb; 71.20.âb; 75.50.ây; First principles; Azido group; Ferromagnetic; Electronic structure;
Phonon frequencies and related parameters in GaxIn1âxSb and InAsxP1âx
Keywords: 71.20.-ب; 71.20.âb; 71.20.Nr; 71.38.âk; 71.45.âd; Semiconductors; Alloys; Phonon frequencies; Polarons in lattices; Coupling parameter; Collective effects;
Fermi energy band dispersion and orbital symmetry of Bi2Sr2CaCu2Oy studied by non-polarized-light two-dimensional photoelectron spectroscopy
Keywords: 71.20.-ب; 71.18.+y; 71.20.âb; 74.25.Jb; 79.60.âi; Bi2212; Atomic orbitals; Non-polarized light; Two-dimensional photoelectron spectroscopy;
Augmented wave ab initio EFG calculations: some methodological warnings
Keywords: 71.20.-ب; 71.15.âm; 71.15.Ap; 71.70.Jp; 76.80+y; 71.20.âb; Tin oxides; PAW; Ab initio; EFG;
Relaxation of the (1 1 1) surface of δ-Pu and effects on atomic adsorption: An ab initio study
Keywords: 71.20.-ب; 71.20.âb; 68.35.âp; 71.27.+a; 68.43.âh; Actinides; Atomic adsorption; Density functional theory; Generalized gradient approximation; Plutonium; 5f electrons;
Charge-density-wave partial gap opening in quasi-2D KMo6O17 purple bronze studied by angle resolved photoemission spectroscopy
Keywords: 71.20.-ب; 71.45.Lr; 79.60.âI; 71.20.âb; 71.18.+y; Photoelectron spectroscopies; Charge density waves; Electronic structure; Fermi surface;
Exchange coupling and magnetism of nanocrystalline γâ²-Fe4âxNixN (0.2⩽x⩽0.8) compounds
Keywords: 71.20.-ب; 71.20.âb; 71.20.Be; Electronic structure; Ferromagnetism; Negative exchange coupling;