Keywords: C. ساختار الکترونیکی; A. Graphene; C. Electronic structure;
مقالات ISI C. ساختار الکترونیکی (ترجمه نشده)
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Electronic structure and magnetic properties of BaTi1-xMnxO3
Keywords: C. ساختار الکترونیکی; A. Mn-BaTiO3 multiferroics; C. Electronic structure; C. Magnetic properties;
Modifications in the electronic structure of Rare-Earth doped BiFeO3 multiferroic
Keywords: C. ساختار الکترونیکی; A. Rare Earth; C. Electronic structure; D. Hybridization; E. XAS;
Fermi surface variation of Ce 4f-electrons in hybridization controlled heavy-fermion systems
Keywords: C. ساختار الکترونیکی; A. Strongly correlated electrons systems; C. Electronic structure; D. Ce 4f-Fermi surface; E. Angle-resolved photoemission spectroscopy
Electronic structure of the unoccupied electron energy states in FeSe1−xTex
Keywords: C. ساختار الکترونیکی; A. Noncuprate superconductors; C. Electronic structure; D. Pseudogap; E. Inverse photoemission spectroscopy
First principles studies of the structural, electronic and optical properties of LiInSe2 and LiInTe2 chalcopyrite crystals
Keywords: C. ساختار الکترونیکی; A. Chalcopyrite; C. Electronic structure; C. Ab initio calculations; D. Optical properties
Electronic structure of Eu2+-doped SrAl2O4 using modified Becke-Johnson exchange potential
Keywords: C. ساختار الکترونیکی; A. Oxide; B. Ab initio calculation; B. Supercell; C. Electronic structure;
Electronic structure, mechanical and optical properties of In2O3 with hybrid density functional (HSE06)
Keywords: C. ساختار الکترونیکی; B. Hybrid density functional; C. Electronic structure; D. Mechanical properties; D. Optical properties
Strain-engineering of graphene's electronic structure beyond continuum elasticity
Keywords: C. ساختار الکترونیکی; A. Graphene membranes; C. Electronic structure; D. Elasticity theory;
Electronic structure and thermoelectric properties of Bi2(Te1−xSex)3 compound
Keywords: C. ساختار الکترونیکی; E. Density functional theory; C. Electronic structure; D. Thermoelectric properties; A. Bi2(Te1−xSex)3 compound
Magnetic ordering and electron correlation of iron-based superconductor (Ca3Al2O5âx)(Fe2As2) from first-principles study
Keywords: C. ساختار الکترونیکی; A. Iron-based superconductor; B. magnetic ordering; C. Electronic structure;
Half-metallic state and magnetic properties versus the lattice constant in Ti2CoSn Heusler compound: An ab initio study
Keywords: C. ساختار الکترونیکی; A. Ti2CoSn; B. Density of states theory; C. Electronic structure; D. Magnetic properties;
Study on mechanical behavior and electronic structures of Al–Cu intermetallic compounds based on first-principles calculations
Keywords: C. ساختار الکترونیکی; A. Intermetallic compound; C. Electronic structure; D. First-principles calculations
Thermoelectric properties and electronic structure of Al-doped ZnO
Keywords: C. ساختار الکترونیکی; A. ZnO semiconductor; B. Chemical synthesis; C. Electronic structure; D. Thermoelectric properties
Band structure modifications of Ni3Al caused by the introduction of an interstitial carbon atom
Keywords: C. ساختار الکترونیکی; B. LAPW; C. Electronic structure; D. Charge transfer; D. Magnetic properties;
Thermoelectric properties and electronic structure of Te-doped CoSb3 compounds
Keywords: C. ساختار الکترونیکی; A. Semiconductors; C. Electronic structure; D. Thermoelectric properties
Theoretical prediction of the structural, elastic, electronic and thermal properties of the MAX phases X2SiC (XÂ =Â Ti and Cr)
Keywords: C. ساختار الکترونیکی; A. Ternary carbides; B. Ab initio calculation; C. Crystal structural; C. Electronic structure;
Crystalline and random “diamond-like” boron–carbon structures
Keywords: C. ساختار الکترونیکی; 62.20 -x; 71.15.Nc; 71.23 -kA. Diamond; A. Boron; C. Electronic structure; C. Elastic constants
Electronic structure and decomposition pathways of monoammoniate of lithium borohydride Li(NH3)BH4: A first-principles investigation
Keywords: C. ساختار الکترونیکی; A. Borohydride; B. First-principles calculation; C. Electronic structure; D. Hydrogen storage
Theoretical investigation of electronic and optical properties of andalusite within density functional theory
Keywords: C. ساختار الکترونیکی; A. Andalusite; B. First principle; C. Electronic structure; D. Optical properties
Surface properties of titanium nitride: A first-principles study
Keywords: C. ساختار الکترونیکی; A. Titanium nitride; C. Electronic structure; E. First-principles calculations
The structures, binding energies and magnetic moments of Cr–C clusters
Keywords: C. ساختار الکترونیکی; A. Clusters; C. Electronic structure; E. Density functional theory
An ab initio study of the electronic structure and elastic properties of the newly discovered ternary carbide Ti4GaC3
Keywords: C. ساختار الکترونیکی; 61.66.Fn; 62.20.Dc; 71.15.MbA. Ti4GaC3; B. First-principle; C. Electronic structure; D. Elastic properties
First principle study on the electronic structure of fluorine-doped SnO2
Keywords: C. ساختار الکترونیکی; 71.15.Mb; 71.20.-b; 73.20.HbA. SnO2; B. Fluorine-doped; C. Electronic structure; E. First principles
Electronic and structural properties of palladium-based Heusler superconductors
Keywords: C. ساختار الکترونیکی; 71.20Be; 74.70.Ad; 75.20.En; 85.25.CpA. Heusler compounds; C. Electronic structure; D. Superconductivity
Structural and electronic properties of M2InC (M = Ti, Zr, and Hf)
Keywords: C. ساختار الکترونیکی; 61.50.Ah; 71.15.Mb; 71.20.-bA. Ternary carbides; B. Ab initio calculations; C. Crystal structural; C. Electronic structure
Elastic constants of B2-MgRE (RE = Sc, Y, La–Lu) calculated with first-principles
Keywords: C. ساختار الکترونیکی; 62.20.Dc; 71.15.Mb; 71.20.–b; 71.20.EhA. Rare-earth intermetallics; C. Elastic properties; C. Electronic structure; E. First-principle
Substitution effect of pentavalent bismuth ions on the electronic structure and physicochemical properties of perovskite-structured Ba(In0.5Ta0.5−xBix)O3 semiconductors
Keywords: C. ساختار الکترونیکی; A. Oxides; A. Semiconductors; C. XAFS (EXAFS and XANES); D. Catalytic properties; C. Electronic structure
Ab initio pseudopotential studies of the pressure dependences of structural, electronic and optical properties for GaN
Keywords: C. ساختار الکترونیکی; 71.15.Mb; 64.70.Kb; 71.20.Nr; 78.20.CiA. Semiconductors; D. Phase transition; C. Electronic structure; D. Optical properties
Electronic structure and electron energy-loss spectra of Sr0.35CoO2
Keywords: C. ساختار الکترونیکی; 71.15.Mb; 71.20.âb; 71.27.+a; 79.20.Uv; A. Sr0.35CoO2; B. LSDA; C. Electronic structure; D. Electron energy-loss spectra;