9 citations · 14 across the 4 of their papers we have counts for
4 papers
A benchmark of first-principles methods for accurate prediction of semiconductor band gaps
Saeid Abedi, Mehdi Tarighi Ahmadpour, Samira Baninajarian +4
The band gap is an important parameter of semiconductor materials that influences several functional properties, in particular optical properties. However, a fast and reliable firs…
Effects of strain on electronic and magnetic properties of Co/WS junction: a density functional and Monte Carlo study
Hamideh Kahnouji, S. Javad Hashemifar, Nafiseh Rezaei +1
In this work, density functional computations and Monte Carlo simulations are performed to investigate structural, electronic, magnetic, and thermodynamic properties of Co/WS j…
Ab initio simulation of the structure and transport properties of zirconium and ferromagnetic cobalt contacts on the two-dimensional semiconductor WS_2
Hamideh Kahnouji, Peter Kratzer, S. Javad Hashemifar
Using density-functional theory calculations, the atomic and electronic structure of single-layer WS_2 attached to Zr and Co contacts are determined. Both metals form stable interf…
Density-functional study of the pure and palladium doped small copper and silver clusters
Hamideh Kahnouji, Halimeh Najafvandzadeh, S. Javad Hashemifar +2
The size-dependent electronic, structural, magnetic and vibrational properties of small pure cop- per and silver clusters and their alloys with one and two palladium atoms are stud…