59 citations · 152 across the 13 of their papers we have counts for
14 papers
ESpinS: A program for classical Monte-Carlo simulations of spin systems
Nafise Rezaei, Mojtaba Alaei, Hadi Akbarzadeh
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heis…
Bonding properties of amorphous silicon and quantum confinement in the mixed phases of silicon nano slabs
Zahra Nourbakhsh, Hadi Akbarzadeh
On the basis of density functional calculations and using Bader's atom in molecule theory, this article presents quantitative microscopic analyses on the bonding properties of amor…
Crossover between tricritical and Lifshitz points in pyrochlore FeF
Mohammad Amirabbasi, Nafiseh Rezaei, Mojtaba Alaei +2
Pyrochlore FeF (pyr-FeF) is a Heisenberg anti-ferromagnetic (AF) with a magnetic susceptibility deviating from the Curie-Weiss law, even at the room temperature. This c…
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 study of MoS and MoSe nanoclusters in the framework of evolutionary algorithm and density functional theory
Zohre Hashemi, Shohreh Rafiezadeh, Roohollah Hafizi +2
Evolutionary algorithm is combined with full-potential ab-initio calculations to investigate conformational space of (MoS) and (MoSe) (n=1-10) nanoclusters and to 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…