Keywords: ساختار باند الکترونیکی; Germanium; Keating's model; Tight-binding; Strain; Electronic band structure;
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Keywords: ساختار باند الکترونیکی; First principles; Borophane; Defects; Electronic band structure; Electronic transport;
Keywords: ساختار باند الکترونیکی; Transition-metal silicide; Synchrotron radiation; Transmission electron microscopy; Electronic band structure; Electronic excitation;
Keywords: ساختار باند الکترونیکی; Borophene; Tight binding; Electronic band structure; Density of states;
Keywords: ساختار باند الکترونیکی; Density functional theory; Samarium nitride; Electronic band structure; Magnetic; Phonons; Superconductivity;
Keywords: ساختار باند الکترونیکی; Photocatalytic activity; aluminum titanate; Electronic band structure; Sol gel; Semiconductor;
Keywords: ساختار باند الکترونیکی; Palladium monolayer; Adsorption energy; Minimum energy path; Electronic band structure; Electron localization function (ELF);
Keywords: ساختار باند الکترونیکی; Band warping; Non-parabolicity; Dirac points; Electronic band structure; Tight binding; Nearly Free Electron Model;
Keywords: ساختار باند الکترونیکی; Semiconductors; Impurities in semiconductors; Electronic band structure; Mechanical properties;
Keywords: ساختار باند الکترونیکی; Titanium alloys; Phase transformations; Modeling; Thermodynamics; Electronic band structure;
Keywords: ساختار باند الکترونیکی; DFT; Half metallic materials; Magnetic materials; FP-LAPW; Electronic band structure
Keywords: ساختار باند الکترونیکی; Topological insulators; Bismuth selenide; Electronic band structure; Surface states;
Keywords: ساختار باند الکترونیکی; Positron annihilation; Electronic band structure; Positron states;
Keywords: ساختار باند الکترونیکی; Nanoribbon; Topological defects; Density of states; Tight-binding model; Electronic band structure; Zigzag edge
Keywords: ساختار باند الکترونیکی; Thermoelectrics; Power Factor; Figure of Merit; Enhancement; Carrier Mobility; Charge Transport; Electronic Band Structure; Energy Harvesting; Highly-doped Semiconductors;
Keywords: ساختار باند الکترونیکی; Titanium alloys; Phase transformations; Modeling; Thermodynamics; Electronic band structure
Keywords: ساختار باند الکترونیکی; Magnesium borohydride; s-type materials; DFT; Electronic band structure; Optical properties; H2 storage capacity
Keywords: ساختار باند الکترونیکی; Nitrogenated holey graphene; Nanotube; Electronic band structure; Density of states; Density functional theory;
DFT study of electronic structure properties of SrAFe4As4 (Aâ¯=â¯Rb and Cs) superconductors
Keywords: ساختار باند الکترونیکی; High Tc superconductivity; FeAs-based; Electronic band structure; Interband scattering; Multiband Fermi surface;
Conductive CaSi2 transparent in the near infra-red range
Keywords: ساختار باند الکترونیکی; Calcium disilicide; Double heterostructures; Ab initio calculations; Electronic band structure; Optical and transport properties; A gap-less semiconductor; Infra-red transparency;
d0-d half-Heusler alloys: A potential class of advanced spintronic materials
Keywords: ساختار باند الکترونیکی; Transition metal alloys and compounds; Dirac and conventional half-metals; Electronic band structure; Curie temperature; Phase stability;
Effects of transition metals on physical properties of M2BC (Mâ¯=â¯V, Nb, Mo and Ta): A DFT calculation
Keywords: ساختار باند الکترونیکی; Metallic boro-carbides; Electronic band structure; Optical properties; Thermodynamic properties;
Magnetotransport properties of FeSe in fields up to 50â¯T
Keywords: ساختار باند الکترونیکی; High-Tc superconductors; Galvanomagnetic effects; Electronic band structure;
Comparative study of the phase transitions and spectral properties of NH2(CH3)2Me1-Ñ
Сrx(SO4)2Ã6H2O (Me = Al, Ga) ferroelectrics
Keywords: ساختار باند الکترونیکی; Electronic band structure; Crystal and ligand fields; Phase transitions; Optical spectroscopy;
Stress and strain effects on the electronic structure and optical properties of ScN monolayer
Keywords: ساختار باند الکترونیکی; ScN monolayer; Density functional theory; Stress and strain; Electronic band structure; Optical properties;
Investigation of GaBi1-xSbx based highly mismatched alloys: Potential thermoelectric materials for renewable energy devices and applications
Keywords: ساختار باند الکترونیکی; Density functional theory; Electronic band structure; Seebeck coefficients; Power factor; Figure of merit;
First principles study of the structural phase stability and magnetic order in various structural phases of Mn2FeGa
Keywords: ساختار باند الکترونیکی; Magnetism; Transition metal alloys and compounds; Phase stability; Electronic band structure;
Electronic band structure of 4d and 5d transition metal trichalcogenides
Keywords: ساختار باند الکترونیکی; Van der Waals material; Transition metal trichalcogenide; Electronic band structure; Spin-orbit coupling; Dirac electrons;
Experimental and DFT study of the V-Co-Sb ternary system
Keywords: ساختار باند الکترونیکی; Intermetallics; Phase diagrams; Crystal structure; Thermoelectric; X-ray diffraction; Electronic band structure;
Electronic and gap properties of Sb and Bi based halide perovskites: An ab-initio study
Keywords: ساختار باند الکترونیکی; Halide perovskites; Density-functional theory; Electronic band structure;
Electronic structure and magnetic properties of the magnetically ordered intermediate valent Ce5RuGe2
Keywords: ساختار باند الکترونیکی; Rare earth alloys and compounds; Electronic band structure; Magnetization; Thermodynamic properties;
Structure and properties of a novel boride (V0.92Fe0.08)2FeB2 with partially ordered U3Si2-type
Keywords: ساختار باند الکترونیکی; Transition metal alloys and compounds; Precipitation; Crystal structure; Mechanical properties; Electronic band structure; Magnetic measurements;
Phonon instability and charge density wave in U2Ti
Keywords: ساختار باند الکترونیکی; Actinide alloys and compounds; U2Ti; Electronic band structure; Phonon;
First principles investigation of optoelectronic properties of ZnXP2 (Xâ¯=â¯Si, Ge) lattice matched with silicon for tandem solar cells applications using the mBJ exchange potential
Keywords: ساختار باند الکترونیکی; FP-LAPW; mBJ; Chalcopyrite; Electronic band structure; Linear optical properties;
Ab-initio calculation on electronic and optical properties of ThO2, UO2 and PuO2
Keywords: ساختار باند الکترونیکی; Electronic band structure; Partial density of states; Density functional theory; Optical properties;
Properties of (TiZrNbCu)1-xNix metallic glasses
Keywords: ساختار باند الکترونیکی; Metallic glasses; Electronic band structure; Heat capacity; Mechanical properties;
Ternary palladium-indium-phosphorus and platinum-indium-phosphorus compounds based on the Cu3Au-type: Structure, bonding, and properties
Keywords: ساختار باند الکترونیکی; Transition metal compounds; Intermetallics; Crystal structure; Electronic band structure; Chemical bonding;
Anomalous rattling and single crystalline properties of the caged compound URu2Al10
Keywords: ساختار باند الکترونیکی; Actinide alloys and compounds; Heat capacity; Magnetoresistance; Electron-phonon interactions; Kondo effect; Electronic band structure;
Interaction of tantalum, titanium and phosphorus at 1070Â K: Phase diagram and structural chemistry
Keywords: ساختار باند الکترونیکی; Phase diagram; Transition metal alloys and compounds; Crystal structure; Electronic band structure; X-ray diffraction;
Ab initio calculations of the electronic structure and specific optical features of β-LiNH4SO4 single crystals
Keywords: ساختار باند الکترونیکی; Density functional theory (DFT); Electronic band structure; Oxide materials; Refractive index; X-ray spectroscopy;
Structural parameters, electronic properties, and band gaps of a single walled carbon nanotube: A pz orbital tight binding study
Keywords: ساختار باند الکترونیکی; Single walled carbon nanotube (SWCNT); pz orbital tight binding (TB) model; Extended Hückel Theory (EHT) model; Chirality; Analytical expressions; Electronic band structure; Band gap (Eg);
Electronic structure in 1T-ZrS2 monolayer by strain
Keywords: ساختار باند الکترونیکی; Transition-metal dichalcogenides; Electronic band structure; First-principles;
Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13
Keywords: ساختار باند الکترونیکی; Metal chalcogenides; X-ray diffraction; Raman spectroscopy; Electronic band structure; Birefringence;
First-principles calculations of electronic and optical properties of LiCaAlF6 and LiSrAlF6 crystals as VUV to UV solid-state laser materials
Keywords: ساختار باند الکترونیکی; First-principles; Electronic band structure; Colquiriite-type fluoride crystals; Laser host materials; VUV;
Electronic and magnetic properties of Mn-doped WSe2 monolayer under strain
Keywords: ساختار باند الکترونیکی; Transition-metal dichalcogenides; Electronic band structure; Strain; First-principles;
Electronic and gap properties of lead-free perfect and mixed hybrid halide perovskites: An ab-initio study
Keywords: ساختار باند الکترونیکی; Halide perovskites; Density-functional theory; Electronic band structure;
Newly synthesized Zr2AlC, Zr2(Al0.58Bi0.42)C, Zr2(Al0.2Sn0.8)C, and Zr2(Al0.3Sb0.7)C MAX phases: A DFT based first-principles study
Keywords: ساختار باند الکترونیکی; Bi/Sn/Sb containing MAX compounds; DFT calculations; Structural properties; Elastic constants; Electronic band structure;
Noncentrosymmetric chalcogenides BaZnSiSe4 and BaZnGeSe4 featuring one-dimensional structures
Keywords: ساختار باند الکترونیکی; Semiconductors; Crystal structure; Electronic band structure; Optical properties;
Pressure induced structural and optical properties of cubic phase SnSe: An investigation for the infrared/mid-infrared optoelectronic devices
Keywords: ساختار باند الکترونیکی; Semiconductors; High-pressure; Optical materials; Electronic band structure; Electronic properties; Optical properties;
A novel model to account for the heterogeneous nucleation mechanism of α-Mg refined with Al4C3 in Mg-Al alloy
Keywords: ساختار باند الکترونیکی; Heterogeneous nucleation mechanism; Magnesium alloy; Crystal structure; Electronic band structure;