Roohollah Hafizi

activity

20162018

most citedBandstructure and Contact Resistance of Carbon Nanotubes Deformed by the Metal Contact

29 citations · 43 across the 3 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

cond-mat.mtrl-sci2017★ 14 cited

First-principles study of MoS $_{2}$ and MoSe $_{2}$ 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 $_{2}$ ) $_{n}$ and (MoSe $_{2}$ ) $_{n}$ (n=1-10) nanoclusters and to i…

cond-mat.mtrl-sci2016

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…

First-principles study of MoS2​ and MoSe2​ nanoclusters in the framework of evolutionary algorithm and density functional theory

First-principles structure search for the stable isomers of stoichiometric WS2 nano-clusters

First-principles study of MoS $_{2}$ and MoSe $_{2}$ nanoclusters in the framework of evolutionary algorithm and density functional theory