Shohreh Rafiezadeh

collaborators

2 papers

cond-mat.mtrl-sci2023

Electronic and optical properties of the fully and partially inverse CoFe $_{2}$ O $_{4}$ spinel from first principles calculations including many-body effects

Shohreh Rafiezadeh, Vijaya Begum-Hudde, Rossitza Pentcheva

Using density functional theory (DFT) calculations and state-of-the-art many-body perturbation theory, we investigate the electronic and optical properties of the inverse spinel Co…

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…

Electronic and optical properties of the fully and partially inverse CoFe2​O4​ spinel from first principles calculations including many-body effects

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

Electronic and optical properties of the fully and partially inverse CoFe $_{2}$ O $_{4}$ spinel from first principles calculations including many-body effects

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