1 citations · 2 across the 5 of their papers we have counts for
7 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…
AlB and AlB monolayers: emergence of multiple two-dimensional Dirac nodal line semimetals with novel properties
Saeid Abedi, Esmaeil Taghizadeh Sisakht, S. Javad Hashemifar +3
Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in developing nanoscale devices. Despite the pred…
Ab initio analysis of some Ge-based 2D nanomaterials
Ali Ghojavand, S. Javad Hashemifar, Mahdi Tarighi Ahmadpour +3
The structural, electronic and dynamical properties of a group of 2D germanium-based compounds, including GeC, GeN, GeO, GeSi, GeS, GeSe, and germanene, are investigated by employi…
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 investigation of magnetic ordering in the double perovskite SrNiWO
Nafise Rezaei, Tayebehsadat Hashemifar, Mojtaba Alaei +3
{\it Ab initio} calculations, GGA/GGA+, are used to propose a spin Hamiltonian for the B-site ordered double perovskite, SrNiWO. Our results show that the exchange i…
First-principles structure search for the stable isomers of stoichiometric WS2 nano-clusters
Roohollah Hafizi, S. Javad Hashemifar, Mojtaba Alaei +2
In this paper, we employ evolutionary algorithm along with the full-potential density functional theory (DFT) computations to perform a comprehensive search for the stable structur…