Keywords: ساختار سازه; Phononics; Variational methods; Bandstructure;
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Keywords: ساختار سازه; Phononics; Variational principles; Bandstructure; Bloch wave
Satellite valleys and strained band gap transition of bulk Ge: Impact of pseudopotential approximations on quasiparticle levels
Keywords: ساختار سازه; Density functional theory (DFT); GW approximation; Pseudopotentials; Quasiparticle energies; Ab-initio; First principles calculations; Band gap; Semiconductors; Germanium; Electronic structure; Atomic orbitals; Bandstructure;
Electron transport in NH3/NO2 sensed buckled antimonene
Keywords: ساختار سازه; Antimonene; Sensor; DFT; Adsorption energy; Bandstructure; Transmission spectra;
Synthesis, electronic structure and physical properties of polycrystalline Ba2FePnSe5 (Pn = Sb, Bi)
Keywords: ساختار سازه; Phase-change; Chalcogenide; Selenide; Bandstructure; Electronic structure;
ab initio study of 3d transition metal-doping effects in rutile-TiO2: Role of bandgap tunability in conductivity behaviour
Keywords: ساختار سازه; TiO2 doping; DFT; Bandstructure; 3d transition metal; Quantum-Espresso;
Geometry dependent structural and electronic properties of CdS nanowires: An ab-inito study
Keywords: ساختار سازه; Cadmium sulphide; Nanowires; Bandstructure; Density functional theory; Effective mass; Interfrontier orbital;
The electronic and structural properties in Ca2TiMnO6 double perovskite: The first principle study
Keywords: ساختار سازه; Double perovskite; DFT; Bandstructure; PDOS;
Superlattice effects in graphene on SiC(0001) and Ir(111) probed by ARPES
Keywords: ساختار سازه; Graphene; Bandstructure; Symmetry; ARPES
Electronic, optical and bonding properties of MgYZ2 (Y=Si, Ge; Z=N, P) chalcopyrites from first principles
Keywords: ساختار سازه; Chalcopyrite semiconductors; DFT; Bandstructure; Optoelectronics
Hybrid density functional based study on the band structure of trioctahedral mica and its dependence on the variation of Fe2+ content
Keywords: ساختار سازه; 71.15.Mb; 71.20.âb; 91.60.Lj; Hybrid-DFT; Trioctahedral mica; Bandstructure; Iron;
Bandstructure and mobility variations in p-type silicon nanowires under electrostatic gate field
Keywords: ساختار سازه; Silicon nanowire; Transistors; Hole mobility; Boltzmann; Atomistic; Bandstructure
Effect of substituting sp-element on half metallic ferromagnetism in NiCrSi Heusler alloy
Keywords: ساختار سازه; Half-metal; HMF; DFT; FPLAPW method; Heusler alloys; Bandstructure
Two dimensional band structure mapping of organic single crystals using the new generation electron energy analyzer ARTOF
Keywords: ساختار سازه; Photoemission; Bandstructure; Tetracene; Rubrene; Organic single crystal;
A first principles calculations of structural, electronic, magnetic and dynamical properties of mononitrides FeN and CoN
Keywords: ساختار سازه; First principles; Spin; Phonon; Bandstructure
Confinement-induced carrier mobility increase in nanowires by quantization of warped bands
Keywords: ساختار سازه; Silicon nanowire; Ultra-thin-body; Mobility; Boltzmann; Atomistic; Bandstructure; sp3d5s* Tight binding model; Anisotropy; Warped bands;
Structural and electronic properties of PbTe (rocksalt)/CdTe (zinc-blende) interfaces
Keywords: ساختار سازه; 68.35.Ct; 68.37.Lp; 68.65.Hb; PbTe; CdTe; Interfaces; Band offset; Bandstructure; HRTEM;
First-principles calculation of Mg(0 0 0 1) thin films: Quantum size effect and adsorption of atomic hydrogen
Keywords: ساختار سازه; 73.61.−r; 73.20.At; 73.21.AcMg(0 0 0 1) thin film; Quantum size effect; Adsorption; Bandstructure