Search
Now showing items 1-5 of 5
First-principles calculations of the mechanic and vibration properties of AgRE (RE = Ho, Er, Tm) intermetallic compounds under pressure
(IOP Publishing LTD, 2015)
First-principles calculations are used to investigate the structural, elastic and vibration properties of the binary intermetallic compounds AgRE (RE = Ho, Er, Tm) with a B2 (CsCl) structure using density functional theory. ...
Systematic study on the anisotropic elastic properties of tetragonal XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds
(Elsevier Science Bv, 2015)
The anisotropic elastic properties of XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds have been investigated by using first-principles calculations based on density functional theory. The calculated lattice parameters are in ...
Stability and morphology-dependence of Sc3+ ions incorporation and substitution kinetics within ZnO host lattice
(ELSEVIER SCI, 2015)
In this study, sol-gel spin coating route was carried out to prepare Scandium doped ZnO thin films with different controlled percentage (1-7%). Particularly, it has been demonstrated, through original conjoint morphologi ...
Thermo-elastic and lattice dynamical properties of Pd3X (X = Ti, Zr, Hf) alloys: an ab initio study
(Springer, 2015)
Using the generalized-gradient approximation (GGA) based on density functional theory, we have reported the structural, mechanical, electronic, and lattice dynamical properties of the intermetallic compounds Pd3X (X = Ti, ...
Mechanical and dynamical stability of TiAsTe compound from ab initio calculations
(TAYLOR & FRANCIS, 2015)
The first-principles calculations are employed to provide a fundamental understanding of the structural features and relative thermodynamical, mechanical and phonon stability of TiAsTe compound. The calculated lattice ...
