41 citations · 60 across the 12 of their papers we have counts for
13 papers
First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2
Mst. Irin Naher, A. F. M. Yusuf Haider, Dholon Kumar Paul +3
We present a density functional theory investigation of the pressure dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the interm…
Investigation of the Pressure Dependent Physical Properties of MAX Phase Ti2AlX (X = B, C, and N) Compounds: A First-Principles Study
M. I. Naher, M. Montasir, M. Y. H. Khan +6
The physical properties and their pressure dependence of recently synthesized Ti2AlX (X = B, C, and N) MAX phases are investigated for the very first time applying density function…
First-principles exploration of the pressure dependent physical properties of Sn4Au: a superconducting topological semimetal
M. Abdul Hadi Shah, M. I. Naher, S. H. Naqib
First-principles investigation within the density functional theory is utilized to explore the physical properties of a superconducting topological semimetal Sn4Au under pressure w…
A comprehensive ab-initio insights into the pressure dependent mechanical, phonon, bonding, electronic, optical, and thermal properties of CsV3Sb5 Kagome compound
M. I. Naher, M. A. Ali, M. M. Hossain +2
In this paper, we have presented a comprehensive study of the physical properties of Kagome superconductor CsV3Sb5 using the density functional theory (DFT). The structural, mechan…
A facile top-down synthesis of phase pure CuBi2O4 photocathode materials by low-energy sequential ball milling
Syed Farid Uddin Farhad, Mst. Irin Naher, Nazmul Islam Tanvir +4
Kusachiite (copper bismuth oxide) is one of the most promising photocathode materials for high solar-to-hydrogen production efficiency. Here we attempt to synthesize phase pure cop…
Possible applications of Mo2C in the orthorhombic and hexagonal phases explored via ab-initio investigations of elastic, bonding, optoelectronic and thermophysical properties
M. I. Naher, S. H. Naqib
Binary carbides demonstrate attractive set of physical properties that are suitable for numerous and diverse applications. In the present study, we have explored the structural pro…
First-principles insights into the mechanical, optoelectronic, thermophysical, and lattice dynamical properties of binary topological semimetal BaGa2
M. I. Naher, S. H. Naqib
In the present study we have investigated the structural properties, electronic band dispersion, elastic constants, acoustic behavior, phonon spectrum, optical properties, and a nu…
Ab-initio insights into the elastic, bonding, phonon, optoelectronic and thermophysical properties of SnTaS2
M. I. Naher, M. Mahamudujjaman, A. Tasnim +2
SnTaS2 is a recently discovered layered semimetal exhibiting type-II low transition temperature superconductivity. Except some superconductivity related parameters, most of the phy…
A comprehensive DFT based insights into the physical properties of tetragonal Mo5PB2
M. I. Naher, M. A. Afzal, S. H. Naqib
Tetragonal Mo5PB2 compound, a recently discovered superconductor, belongs to technologically important class of materials. It is quite surprising to note that a large number of phy…
A comprehensive study of the physical properties of Nb2P5 via ab-initio technique
M. I. Naher, S. H. Naqib
Binary metallic phosphide, Nb2P5, belongs to technologically important class of materials. Quite surprisingly, a large number of physical properties of Nb2P5, including elastic pro…
Structural, elastic, electronic, bonding, thermal, and optical properties of topological Weyl semimetal TaX (X = P, As): Insights from ab-initio calculations
M. I. Naher, S. H. Naqib
In this work, we have studied the structural, elastic, mechanical, electronic, bonding, acoustic, thermal and optical properties of TaX (X = P, As) in detail via first-principles m…
Structural, elastic, electronic, bonding, and optical properties of topological CaSn3 semimetal
M. I. Naher, S. H. Naqib
The topological Weyl semimetal CaSn3, belonging to the AuCu3 type cubic structure, is an important electronic system to investigate both from the point of view of fundamental physi…
Structural, elastic, electronic, and bonding properties of intermetallic Nb3Pt and Nb3Os compounds: a DFT study
M. I. Naher, F. Parvin, A. K. M. A. Islam +1
Theoretical investigation of structural, elastic, electronic and bonding properties of A-15 Nb-based intermetallic compounds Nb3B (B = Pt, Os) have been performed using first princ…