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RISPressure depended elastic, vibration and optical properties of NbIrSn from first principles calculations
Thermoelectric Transport Properties of RyFe3NiSb12 (Rآ =آ Ba, Nd and Yb)
the effects of on structural and electronic properties of BaTiO3 ceramic
Abstract
The theoretical effects of Ni on structural and electronic properties of BaTiO3 ceramic have been studied using full potential-linearized augmented plane wave (FP-LAPW) method in the framework of ...
An Analytical Fifth-Nearest Neighbor Tight-Binding Investigation of the Effect of Mechanical Deformations on SWCNTs
In this paper, we analytically investigate the effects of the two samples of mechanical deformations, i.e.,
uniaxial and torsional strains on the electronic band structure and the density of states of the single-walled carbon nanotubes...
First-principles calculations of the Young’s modulus of double wall boron-nitride nanotubes
By using ab-initio density functional theory and the PerdeweBurkeeErnzerh of generalized gradient
approximation, the Young’s modulus of double-wall boron nitride nanotubes (DWBNNT) is investigated.
We estimated ...
The effect of excss titaniun and crystal symmetry on electronic properties of Pb(Zr1-x Tix)O3
Density functional theory; Electron density of states; Band structure of crystalline solids; Piezoelectrics; Ferroelectrics...