Roohollah Hafizi

activity

20162018

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

29 citations · 29 across the 2 of their papers we have counts for

collaborators

3 papers

cond-mat.mes-hall2018★ 29 cited

Bandstructure and Contact Resistance of Carbon Nanotubes Deformed by the Metal Contact

Roohollah Hafizi, Jerry Tersoff, Vasili Perebeinos

Capillary and van der Waals forces cause nanotubes to deform or even collapse under metal contacts. Using ab-initio bandstructure calculations, we find that these deformations redu…

cond-mat.mtrl-sci2017

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…

Bandstructure and Contact Resistance of Carbon Nanotubes Deformed by the Metal Contact

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