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Saleh Naqib

University of Rajshahi

Department of Zoology

Rajshahi, 6205

Bangladesh

SCHOLARLY PAPERS

34

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1,047

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9

Scholarly Papers (34)

1.

An Ab Initio Approach to Understand the Structural, Mechanical, Thermophysical, Electronic, and Optical Properties of Topological Insulators Amg2bi2 (a = Ca, Yb)

Number of pages: 20 Posted: 17 Nov 2024
University of Dhaka, Dhaka University, Dhaka University, University of Dhaka and University of Rajshahi
Downloads 93 (725,554)

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Density functional theory (DFT), Topological Insulator (TI), Electronic band structure, elastic properties, optical properties

2.

Ab-Initio Insights into the Pressure Dependent Elastic, Electronic, Optical and Possible High-Tc Superconducting State Properties of Monoclinic and Orthorhombic Mgvh6

Number of pages: 29 Posted: 13 Feb 2023
Mawlana Bhashani Science and Technology University, University of Rajshahi and University of Rajshahi
Downloads 58 (980,173)

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Ternary hydride superconductors, DFT Calculations, elastic properties, Optoelectronic properties, Thermophysical properties

3.

Dft Prediction of the Stability and Physical Properties of M2gab (M = Sc, V, Nb, Ta)

Number of pages: 41 Posted: 03 Mar 2023
Khulna University, Khulna University, Khulna University, Khulna University, Khulna University, University of Rajshahi and Chittagong University of Engineering and Technology
Downloads 48 (1,086,013)

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MAX phase borides, Mechanical properties, Electronic properties, Optical properties, Thermal properties

Downloads 25 (1,430,393)

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MoC2 in orthorhombic and hexagonal phases, Elastic properties, Bonding character, Optoelectronic properties, Thermophysical properties

Downloads 21 (1,486,852)

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MoC2 in orthorhombic and hexagonal phases, Elastic properties, Bonding character, Optoelectronic properties, Thermophysical properties

5.

The Rise of 212 Max Phase Borides, Ti2pb2, Zr2pbb2, and Nb2ab2 [A = P, S]: Dft Insights into the Physical Properties for Thermo-Mechanical Applications

Number of pages: 36 Posted: 21 Sep 2022
Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, University of Rajshahi and University of Rajshahi
Downloads 42 (1,157,785)

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MAX phase borides, DFT study, Mechanical properties, Electronic properties, Thermal properties

DFT exploration of pressure dependent physical properties of the recently discovered La3Ni2O7 superconductor

Number of pages: 56 Posted: 29 Nov 2025
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 31 (1,341,098)
Citation 2

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Nickelate superconductors, DFT, Elastic properties, Optoelectronic properties, Thermophysical properties, Superconductivity

DFT exploration of pressure dependent physical properties of the recently discovered La3Ni2O7 superconductor

Number of pages: 56 Posted: 24 Feb 2026
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 10 (1,606,395)

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Nickelate superconductors, Elastic properties, Optoelectronic properties, Thermophysical properties, Superconductivity

7.

A Comparative Study of the Physical Properties of Layered Transition Metal Nitride Halides [[Equation]] ( [[Equation]] = [[Equation]] , [[Equation]] ): Dft Based Insights

Number of pages: 34 Posted: 16 Sep 2022
University of Dhaka, Dhaka University, University of Dhaka and University of Rajshahi
Downloads 41 (1,170,409)

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Density functional theory (DFT), Structural Properties, Elastic Constants, Optoelectronic properties

8.

DFT based comparative study of the physical properties of MAlB (M = V, Ta, Mo, Nb) MAB compounds

Number of pages: 52 Posted: 02 Dec 2025
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 40 (1,183,237)

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MAB phase, density functional theory, Elastic properties, Thermo-mechanical properties, Optoelectronic properties, Ternary borides

An Ab Initio Approach to Understand the Structural, Thermophysical, Electronic, and Optical Properties of Binary Silicide Srsi2: A Double Weyl Semimetal

Number of pages: 28 Posted: 20 Jul 2022
Dhaka University, Dhaka University, University of Dhaka and University of Rajshahi
Downloads 23 (1,459,262)
Citation 3

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Weyl semimetal, Density functional theory (DFT), Elastic properties, Band structure, Fermi surface, optical properties

An Ab Initio Approach to Understand the Structural, Thermophysical, Electronic, and Optical Properties of Binary Silicide Srsi2: A Double Weyl Semimetal

Number of pages: 28 Posted: 09 May 2022
Dhaka University, Dhaka University, University of Dhaka and University of Rajshahi
Downloads 17 (1,537,408)

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Weyl semimetal, Density functional theory (DFT), Elastic properties, Band structure, Fermi surface, Optical properties

10.

Thallium-Based Iodo-Perovskites TlMI3 (M = Ca, Sr) for Optoelectronic and Thermoelectric Applications: A DFT Investigation

Number of pages: 43 Posted: 29 Jan 2026
University of Rajshahi, University of Rajshahi, University of Rajshahi, Bangladesh, Abdelmalek Essaadi University, Bangabandhu Sheikh Mujibur Rahman Science and Technology University (BSMRSTU), Bangladesh Atomic Energy Commission, Khwaja Fareed University of Engineering & Information Technology, University of Rajshahi, Jashore University of Science and Technology, Abdelmalek Essaadi University, Bangladesh Council of Scientific and Industrial Research and University of Rajshahi
Downloads 38 (1,209,354)

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Thallium-based perovskites TlMI3 (M = Ca, Sr), Density Functional Theory (DFT), Optical Properties, Thermoelectric performance, Multifunctional materials

11.

A Comprehensive Exploration of the Physical Properties of M2gab (M = Ti, Zr, Mo, Hf) Through Dft Method

Number of pages: 36 Posted: 16 May 2023
Khulna University, Khulna University, Khulna University, Khulna University, Khulna University, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, University of Rajshahi and Chittagong University of Engineering and Technology
Downloads 38 (1,209,354)

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MAX phase, DFT study, mechanical properties, Thermal properties, Optical properties.

12.

Investigation of the Pressure Dependent Physical Properties of MAX Phase Ti2AlX (X = B, C, and N) Compounds: A First-Principles Study

Number of pages: 36 Posted: 05 Nov 2025
University of Rajshahi, International Islamic University Chittagong, International Islamic University Chittagong, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, International Islamic University Chittagong, Rajshahi University and University of Rajshahi
Downloads 35 (1,249,711)

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MAX phases, Density Functional Theory, Phonon dynamics, Thermo-mechanical properties, Optoelectronic properties

13.

Comprehensive First-Principles Insights into the Physical Properties of Binary Intermetallic Zr3ir Compound

Number of pages: 41 Posted: 17 Aug 2023
University of Rajshahi, University of Rajshahi, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology and University of Rajshahi
Downloads 35 (1,249,711)

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DFT calculations, Elastic properties, Thermophysical properties, Optoelectronic properties, Superconductivity

14.
Downloads 35 (1,249,711)

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Topological Semimetal, Density Functional Theory, Elastic Properties, Band Structure, Optical Properties, Thermophysical Properties

15.

First-Principles Investigation of the Physical Properties of Wide Band Gap Hexagonal Alpo4 Compound for Possible Applications

Number of pages: 26 Posted: 26 Jul 2024
University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 29 (1,332,057)

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density functional theory, Wide band gap semiconductor, Elastic properties, Optoelectronic properties, Thermo-mechanical properties

First-Principles Exploration of the Pressure Dependent Physical Properties of Sn4au: A Superconducting Topological Semimetal

Number of pages: 33 Posted: 21 Aug 2024
M. Shah, M. I. Naher and Saleh Naqib
Rajshahi University, University of Rajshahi and University of Rajshahi
Downloads 14 (1,570,077)

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Topological semimetal, Elastic properties, Optoelectronic properties, Thermo-mechanical properties, Superconductivity

First-Principles Exploration of the Pressure Dependent Physical Properties of Sn4au: A Superconducting Topological Semimetal

Number of pages: 33 Posted: 08 Nov 2024
M. Shah, M. I. Naher and Saleh Naqib
Rajshahi University, University of Rajshahi and University of Rajshahi
Downloads 14 (1,570,077)

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Topological semimetal, Elastic properties, Optoelectronic properties, Thermo-mechanical properties, Superconductivity

17.
Downloads 28 (1,345,526)

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Topological semimetal, Density Functional Theory, Elastic properties, band structure, Optical properties, Thermophysical properties

18.

First-Principles Prediction of Pressure Dependent Mechanical, Electronic, Optical, and Superconducting State Properties of NaC6: A Potential High-Tc Superconductor

Number of pages: 20 Posted: 18 Oct 2021
Dhaka University, Dhaka University, University of Dhaka, University of Rajshahi and University of Rajshahi
Downloads 28 (1,345,526)
Citation 3

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High temperature superconductivity, Density functional theory (DFT), Structural properties, Optoelectronic properties, Effects of pressure on Tc

19.

A Comparative Ab-Initio Investigation of the Physical Properties of Cubic Laves Phase Compounds Xbi2 (X = K, Rb)

Number of pages: 31 Posted: 18 Oct 2023
Jahid Hassan, M. A. Masum and Saleh Naqib
University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 27 (1,359,097)

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Laves phase compound, Density Functional Theory, Elastic properties, band structure, Optoelectronic properties, Thermo-physical properties

20.

Dft Based Investigation of Structural, Elastic, Optoelectronic, Thermophysical and Superconducting State Properties of Binary Mo3p at Different Pressures

Number of pages: 44 Posted: 12 Dec 2023
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 26 (1,372,601)

Abstract:

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Density functional theory, Elastic properties, Optoelectronic properties, Thermophysical properties, Superconductivity

21.

DFT based comparative analysis of physical properties of binary metallic diborides XB2 (X = Cr, Mo and W)

Number of pages: 43 Posted: 05 Nov 2025
University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 25 (1,399,036)
Citation 1

Abstract:

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Density Functional Theory, Metallic diborides, Thermo-mechanical properties, Optoelectronic properties, superconductivity

22.

Dft Based Comparative Analysis of the Physical Properties of Some Binary Transition Metal Carbides Xc (X = Nb, Ta, Ti)

Number of pages: 44 Posted: 03 Mar 2023
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 23 (1,411,822)

Abstract:

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Transition metal carbides, density functional theory, Elastic properties, Thermophysical properties, optoelectronic properties

23.

Ab-Initio Insights into the Physical Properties of Xir3 (X = La, Th) Superconductors: A Comparative Analysis

Number of pages: 43 Posted: 17 Oct 2023
University of Rajshahi, University of Rajshahi, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology and University of Rajshahi
Downloads 22 (1,424,331)

Abstract:

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DFT calculations, Elastic properties, Thermo-mechanical properties, Optoelectronic properties, Superconductivity

24.

Dft Based Investigation of Bulk Mechanical, Thermophysical and Optoelectronic Properties of Pbtase2 Topological Semimetal

Number of pages: 19 Posted: 16 Mar 2023
A.S.M. Muhasin Reza and Saleh Naqib
University of Rajshahi and University of Rajshahi
Downloads 21 (1,436,435)

Abstract:

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Topological semimetal, Elastic properties, Thermal properties, Optoelectronic properties, Density functional theory

25.

Pressure Dependent Physical Properties of a Potential High-Tc Superconductor Scyh6: Insights from First-Principles Study

Number of pages: 30 Posted: 21 Feb 2024
Mawlana Bhashani Science and Technology University, University of Rajshahi and University of Rajshahi
Downloads 20 (1,448,301)

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Ternary hydride superconductors, DFT calculations, Elastic properties, Optoelectronic properties, Thermophysical properties, Superconducting transition temperature

26.

A Comprehensive Ab-Initio Insights into the Pressure Dependent Mechanical, Phonon, Bonding, Electronic, Optical, and Thermal Properties of Csv3sb5 Kagome Compound

Number of pages: 52 Posted: 02 May 2023
University of Rajshahi, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology, Chittagong University of Engineering and Technology and University of Rajshahi
Downloads 20 (1,448,301)

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Kagome compound, Density functional theory, Thermo-mechanical properties, Phonon dynamics, Optoelectronic properties

27.

Structural, Elastic, Electronic, Bonding, Thermo-Mechanical and Optical Properties of Predicted Nbalb Mab Phase in Comparison to Moalb: Dft Based Ab-Initio Insights

Number of pages: 24 Posted: 15 Jun 2023
University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 19 (1,459,862)

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MAB phase compounds, Density functional theory, Elastic constants, Electronic band structure, Bonding characteristics, optical properties

28.

Comparative Analysis of Physical Properties of Some Binary Transition Metal Carbides Xc (X = Nb, Ta, Ti): Insights from a Comprehensive Ab-Initio Study

Number of pages: 44 Posted: 22 Nov 2022
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 18 (1,470,786)

Abstract:

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Transition metal carbides, Density functional theory, Elastic properties, Thermophysical properties, Optoelectronic Properties

29.

Comparative Analysis of Physical Properties of Some Binary   Transition Metal Carbides Xc (X = Nb, Ta, Ti): Insights From A Comprehensive Ab-Initio Study

Number of pages: 44 Posted: 26 Sep 2022
University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 17 (1,481,165)

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Transition metal carbides, Density functional theory, Elastic properties, Thermophysical properties, Optoelectronic properties

30.

Ab-Initio Insights into the Mechanical, Phonon, Bonding, Electronic, Optical and Thermal Properties of Hexagonal W2n3 for Potential Applications

Number of pages: 41 Posted: 27 Feb 2024
I. Ahmed, Fahmida Parvin, R. S. Islam and Saleh Naqib
University of Rajshahi, University of Rajshahi, University of Rajshahi and University of Rajshahi
Downloads 16 (1,491,251)

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Tungsten nitride, density functional theory, Mechanical properties, Phonon dynamics, Thermal properties, optoelectronic properties

31.

First-Principles Pressure Dependent Investigation of the Physical Properties of Kb2h8: A Prospective High-Tc Superconductor

Number of pages: 30 Posted: 04 Dec 2023
Mawlana Bhashani Science and Technology University, University of Rajshahi and University of Rajshahi
Downloads 16 (1,491,251)

Abstract:

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Ternary hydride superconductors, DFT calculations, Elastic properties, Optoelectronic properties, Thermophysical properties, Superconducting properties

32.
Downloads 15 (1,500,778)

Abstract:

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density functional theory, Dirac semimetal, elastic properties, Thermal properties, Optoelectronic properties

33.

Ab-Initio Insights into the Structural, Elastic, Bonding, and Thermophysical Properties of Uh X (X = 1, 2, 3, 5, 6, 7, 8) Under Pressure: Possible Relevance to High-Tc Superconductivity

Number of pages: 38 Posted: 23 Aug 2023
Mawlana Bhashani Science and Technology University, University of Rajshahi and University of Rajshahi
Downloads 13 (1,518,554)

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DFT calculations, Hydride superconductors, Effect of pressure, Elastic properties, Thermophysical properties

34.

First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2

Number of pages: 27 Posted: 24 Mar 2026
University of Rajshahi, BRAC University, BRAC University, BRAC University, BRAC University and University of Rajshahi
Downloads 6 (1,566,597)

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Intermetallic Kagome compound, Density functional theory, Thermo-mechanical properties, Phonon dynamics, Optoelectronic properties