hashemifar@iut.ac.ir Google Scholar Office Department of Physics, Isfahan University of Technology Phone 0098-31-3391-3732 Fax 0098-31-3391-2376 Positions Professor of Condensed Matter Physics Research Interests Computational Material Science Artificial Intelligence for Materials Science Defect in Semiconductors More Articles type: Journal Title DOI Year Month type First-principles calculations of the structural and optoelectronic properties of honeycomb borophene: strain and many-body effects 10.1140/epjp/s13360-024-05166-3 1403 01 Journal Adsorption behavior of hydrogen sulfide in the channels of Li-ABW zeolite: A study using density functional theory 10.1016/j.jmgm.2024.108765 1403 01 Journal Driven charge density modulation by spin density wave and their coexistence interplay in SmFeAsO: A first-principles study 10.1016/j.physb.2023.415603 1402 11 Journal Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps 10.1063/5.0138775 1402 02 Journal Role of the band-gap parameter in the characterization of Landau levels in a gapped-phase semi-Dirac system: Monolayer phosphorene 10.1103/PhysRevB.107.125417 1401 12 Journal Novel first-principles insights into graphene fluorination 10.1063/5.0091279 1401 05 Journal Prediction of novel two-dimensional Dirac nodal line semimetals in Al<sub>2</sub>B<sub>2</sub> and AlB<sub>4</sub> monolayers 10.1039/D2NR00888B 1401 03 Journal Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations 10.1016/j.cej.2021.131768 1400 10 Journal First-Principles Investigation of CH4 Adsorption on a Singly and Doubly Decorated (8,0) Single Wall Carbon Nanotube With Palladium/Oxygen Species 10.1109/ACCESS.2021.3107844 1400 05 Journal Ab initio calculation of structural, electronic, and optical properties of TlxGa1-xAs ternary alloys 10.1016/j.cocom.2020.e00505 1399 09 Journal Title فیزیک ۱ مهندسی مکانیک آماری پیشرفته ساختار الکترونی پیشرفته مواد فیزیک پایه 3 Advanced statistical mechanics Statistical mechanics
