Relaxation of geometrical frustration in three typical ways indicated by density of states
Keywords: تراکم دولتی; Geometrical frustration; Density of states; Wang-Landau simulation;
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Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure
Keywords: تراکم دولتی; Diazo compound; Electrical characterization; Current–voltage; Capacitance–voltage; Diode parameters; Density of states
Band gap calculations of the semiconductor BNxP1−x using modified Becke–Johnson approximation
Keywords: تراکم دولتی; Band structure; Density of states; High symmetry points
Size-dependent and intra-band photoluminescence of NiS2 nano-alloys synthesized by microwave assisted hydrothermal technique
Keywords: تراکم دولتی; Nickel disulfide; Microwave; Photoluminescence; Band structure; Density of states
Adiabatic to non adiabatic change in conduction mechanism of Zn doped La0.67Sr0.33MnO3 perovskite
Keywords: تراکم دولتی; Perovskite; Mott's VRH; SPH conduction; Density of states;
A comparison of the performance of Wang–Landau-Transition-Matrix algorithm with Wang–Landau algorithm for the determination of the joint density of states for continuous spin models
Keywords: تراکم دولتی; Wang–Landau; Transition matrix; Density of states; Joint density of states
Electronic properties of bivalent cations (Be, Mg and Ca) substitution for Al in delafossite CuAlO2 semiconductor by first-principles calculations
Keywords: تراکم دولتی; Delafossite; CuAlO2; Charge density; Band structure; Density of states
Electronic structure and vibrational properties in cobalt-based full-Heusler compounds: A first principle study of Co2MnX (X = Si, Ge, Al, Ga)
Keywords: تراکم دولتی; Half metal; Heusler alloy; Density functional theory; Elastic constants; Phonon properties; Density of states
Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
Keywords: تراکم دولتی; Hydroxyl; Platinum; Density functional calculations; Density of states; Chemisorption
Toward a new polyethylene scattering law determined using inelastic neutron scattering
Keywords: تراکم دولتی; MCNP; Neutron transport; Inelastic neutron scattering; Density of states; NJOY; Polyethylene
Exact and explicit evaluation of Brézin-Hikami kernels
Keywords: تراکم دولتی; Hermitian random matrices; Density of states; Signed Lévy stable functions;
Electronic, crystal structure and morphological properties of the Sr2DyRuO6 double perovskite
Keywords: تراکم دولتی; X-ray techniques; Double perovskite; Oxides; Crystal structure; Electron microscopy; Density of states
Electrical resistance at carbon nanotube/copper interfaces: Capped versus open-end carbon nanotubes
Keywords: تراکم دولتی; Carbon nanotube; Interface; Electrical resistance; Mulliken population; Density of states
Influence of the amorphous/crystalline silicon heterostructure properties on planar conductance measurements
Keywords: تراکم دولتی; Silicon heterojunction; Band offset; a-Si:H; Density of states; Photovoltaic
a-Si:H transport parameters from experiments based on photoconductivity
Keywords: تراکم دولتی; Hydrogenated amorphous silicon; Transport parameters; Photoconductivity; Density of states
Compact expressions for the magnetoresistance and the electron/hole density of states under the application of magnetic fields
Keywords: تراکم دولتی; Landau level; Density of states; Magnetoresistance; Shubnikov-de Haas;
First principles modeling of boron-doped carbon nanotube sensors
Keywords: تراکم دولتی; Doping; Single-walled carbon nanotubes; Ab initio; ABINIT; Simulation; Density of states; Gas sensors;
Ab initio studies of electronic and optical properties of graphene and graphene-BN interface
Keywords: تراکم دولتی; Graphene; Bilayer graphene; Trilayer graphene; Graphene-BN interface; Effective mass; Density of states; Pseudopotential theory; Density functional theory;
Effect of dangling bonds of ultra-thin silicon film surface on electronic states of internal atoms
Keywords: تراکم دولتی; Silicon; Film; Density of states; Dangling bond; Mid-gap states;
Electron transport through an extended nano-ring in presence of magnetic field: An analytical approach
Keywords: تراکم دولتی; Nano-ring; Magnetic flux; Magneto-conductance; Density of states
Band Jahn–Teller effect on the density of states of the magnetic high-Tc superconductors: A model study
Keywords: تراکم دولتی; High-Tc cuprate superconductors; Antiferromagnetism; Jahn–Teller effect; Density of states
A density functional theory study of CF3CH2I adsorption and reaction on Ag(111)
Keywords: تراکم دولتی; Density functional theory; Ag(111); CF3CH2I; Charge density difference; Density of states;
Properties of charge states in MOS structure with ultrathin oxide layer
Keywords: تراکم دولتی; Semiconductor; Density of states; Scanning tunneling microscopy (STM); MOS;
Changes in ionization potentials of MgO and CaO films upon heating in air and vacuum investigated by metastable de-excitation spectroscopy
Keywords: تراکم دولتی; Plasma display panel; Protective layer; Ion-induced secondary electron emission; Density of states; Metastable de-excitation spectroscopy; Ionization potential; 52.75.-d; 79.60.Dp; 73.20.At;
First-principles study of boron, carbon and nitrogen adsorption on WC(1Â 0Â 0) surface
Keywords: تراکم دولتی; First-principles; Adsorption energy; Density of states; Mulliken population;
Fermions in anisotropic harmonic trap
Keywords: تراکم دولتی; Optical lattice; Harmonic trap; Density of states; Drude weight;
Ab initio simulations of doped single-walled carbon nanotube sensors
Keywords: تراکم دولتی; Doping; Single-walled carbon nanotubes; Ab initio; ABINIT; Simulation; Density of states; Gas sensors; Density functional theory;
Effect of molecular orientation on electrical bistability of organic molecules in a monolayer
Keywords: تراکم دولتی; Electrical bistability of organic molecules; Orientation of molecules in a monolayer; Transport gap; Multilevel conductance; Density of states
Electronic, elastic, optical properties of rutile TiO2 under pressure: A DFT study
Keywords: تراکم دولتی; Ultrasoft pseudopotential; Density of states; Acoustic-waves-speed; Refractive index; Hydrostatic-pressure; Debye temperature;
Direct estimate of the static length-scale accompanying the glass transition
Keywords: تراکم دولتی; Glass transition; Static length scale; Random pinning; Density of states;
The crystal and electronic band structure of the diamond-like semiconductor Ag2ZnSiS4
Keywords: تراکم دولتی; Diamond-like semiconductor; Band structure; Density of states; Wien2k; Metal sulfide;
A model for carbon nanotube-DNA hybrid using one-dimensional density of states
Keywords: تراکم دولتی; Carbon nanotube; DNA; Electrolyte solution; Debye-Hückel theory; Density of states;
Understanding the charge density distribution and the electrostatic properties of hexadecane molecular nanowire under electric field using DFT and AIM theory
Keywords: تراکم دولتی; Electric field; Charge density; HOMO-LUMO gap; Electrostatic potential; Density of states;
Electrical characteristics of Au substituted 2,6-Bis-phenylethynyl-dithieno[3,2-b;2â²,3â²-d]thiophene (BPDTT) molecule against external electric fields: A quantum chemical and charge density study
Keywords: تراکم دولتی; Electric field; HOMO-LUMO gap; Density of states; Electrostatic potential; Dipole moment; I-V characteristics;
Structural, mechanical and electronic properties of ZnTe polymorphs under pressure
Keywords: تراکم دولتی; Pressure induced phase transition; Elastic constants; Density of states; Energy band gap
Structural, electronic and thermodynamic properties of Al- and Si-doped α-, γ-, and β-MgH2: Density functional and hybrid density functional calculations
Keywords: تراکم دولتی; Hybrid density functionals; Magnesium hydride; Hydrogen storage; Density of states
A two-dimensional domain decomposition technique for the simulation of quantum-scale devices
Keywords: تراکم دولتی; NEGF; Parallel; Density of states; Atomistic
Research progress on polymer-inorganic thermoelectric nanocomposite materials
Keywords: تراکم دولتی; TE; thermoelectric; ZT; figure of merit; PF; power factor; α; Seebeck coefficient; Ï; electrical conductivity; κ; thermal conductivity; T; absolute temperature; RT; room temperature; DOS; density of states; PANI; polyaniline; PTH; polythiophene; PEDOT;
Electronic structure and magnetic coupling properties of EuFe2P2: First-principles calculations
Keywords: تراکم دولتی; Iron-pnictide superconductor; Density of states; Fermi level; Electronic and magnetic properties
Activation energy and density of states of CdTe thin films from temperature dependent I-V measurements
Keywords: تراکم دولتی; CdTe; SCLC mechanism; Density of states; Conduction mechanism;
The modes of the one phonon infrared absorption spectra of nitrogen aggregate defects in diamond
Keywords: تراکم دولتی; IR absorption; Local mode absorption; Density of states; Nitrogen
Structural, electronic and magnetic properties of negative thermal expansion material Mn3Cu1−xSnxN
Keywords: تراکم دولتی; Antiperovskite structure; Density of states; Fermi level; Electronic and magnetic properties
A first principles study on the full-Heusler compound Mn2CuSi
Keywords: تراکم دولتی; Half-metallicity; Density of states; Electronic structure; Heusler alloy; Magnetic properties
Structural and electronic properties of neutral clusters Ga12X (X=C, Si, Ge, Sn, and Pb) and their anions from first principles
Keywords: تراکم دولتی; Ga12X clusters; Binding energy; Energy gap; Density of states
Density of states in randomly shaped graphene quantum dots
Keywords: تراکم دولتی; Graphene; Disorder; Quantum dot; Edge states; Density of states
Magnetocrystalline anisotropy energy and spin polarization of Fe3Si in bulk and on Si(001) and Si(111) substrates
Keywords: تراکم دولتی; Spintronics; Fe3Si; FLAPW; Surface/interface; Magnetocrystalline anisotropy; Spin polarization; Density of states
First-principles study of properties of Mn2ZnMg alloy
Keywords: تراکم دولتی; Half-metallicity; Electronic structure; Density of states; Spin–orbit coupling; Magnetic property
Structural and electronic properties of phosphorus-doped titanium clusters: A DFT study
Keywords: تراکم دولتی; TinP clusters; Density functional theory; Stability; Magnetic moment; Density of states;
Comparative study of quasi-static and normal capacitance-voltage characteristics in amorphous Indium-Gallium-Zinc-Oxide thin film transistors
Keywords: تراکم دولتی; Amorphous; Thin film transistors; InGaZnO; Density of states; Capacitance-Voltage characteristics; Optical illumination; Quasi-static C-V;
Density functional calculations for Ni adsorption on Al(1 1 0)
Keywords: تراکم دولتی; Density functional theory; Adsorption energy; Work function; Density of states