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S

S. H. Naqib

University of Rajshahi

H指数:41

被引数:5,729

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A first-principles study of the physical properties of the three magnetic MAX phases, Mn2SiX (X = C, N, and B)

基于第一性原理的三种磁性MAX相Mn2SiX (X = C, N, and B)的物理性质研究

Journal of the American Ceramic Society

IF3.8

2025-08-170

PRE

An ab initio approach to understand the structural, mechanical, thermophysical, electronic, and optical properties of topological insulators AMg2Bi2 (A = Ca, Yb)

一种从头计算方法，用于理解拓扑绝缘体AMg₂Bi₂（A = Ca, Yb）的结构、力学、热物理、电子和光学性质

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2025-05-060

PRE

First-principles investigation of the physical properties of wide band gap hexagonal AlPO4 compound for possible applications

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2025-05-010

PRE

Ultralow Lattice Thermal Conductivity with an Outstanding Figure of Merit of Predicted Zintl Phases: XIn2C2 (X = Sr, Ba)

超低晶格热导率与预测的Zintl相的卓越优值：XIn₂C₂ (X = Sr, Ba)

ACS APPLIED ENERGY MATERIALS

IF5.5

2025-04-110

PRE

First-principles exploration of the pressure dependent physical properties of Sn4Au: A superconducting topological semimetal

基于第一性原理的Sn4Au压力依赖物理性质探索：一种超导拓扑半金属

PHYSICA B-CONDENSED MATTER

IF2.8

2025-03-010

OAAI

Anion (S) substitution as a pathway for tuning the physical properties of CsTaO3

阴离子(S)取代作为调节CsTaO3物理性质的一种途径

NEW JOURNAL OF CHEMISTRY

IF2.5

2025-01-010

PRE

An inclusive study of lead-free perovskite CsMI3 materials for photovoltaic and optoelectronic appliance explored by a first principles study

MATERIALS TODAY COMMUNICATIONS

IF4.5

2024-08-010

PRE

Effects of S substitution on the structural, optoelectronic, and thermomechanical properties of KTaO3 through density functional theory

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2024-07-017

PRE

Ab-initio insights into the mechanical, phonon, bonding, electronic, optical and thermal properties of hexagonal W2N3 for prospective applications

IF3.6

2024-07-010

OAAI

Pressure dependent physical properties of a potential highT C superconductor ScYH 6: Insights from first-principles study

SOLID STATE SCIENCES

IF3.3

2024-06-012

OAAI

Theoretical studies on phase stability, electronic, optical, mechanical and thermal properties of chalcopyrite semiconductors HgXN2 (X=Si, Ge and Sn): A comprehensive DFT analysis

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2024-03-019

PRE

DFT Insights into MAX Phase Borides Hf2AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf2AC [A = S, Se, Te]

IF4.3

2023-08-298

OAAI

Optical Response, Lithium Doping, and Charge Transfer in Sn-Based 312 MAX Phases

IF4.3

2023-07-062

OAAI

DFT prediction of the stability and physical

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T

IF6.6

2023-05-0118

OAAI

DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X 1/4 Nb, Ta, Ti)

基于DFT的二元过渡金属碳化物XC (X 1/4 Nb，Ta，Ti) 物理性能的比较分析

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T

IF6.6

2023-05-0122

OAAI

The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti2PB2, Zr2PbB2, and Nb2AB2 [A = P, S] for Thermomechanical Applications

IF4.3

2022-12-1619

OAAI

AbstAb-initio insights into the elastic, bonding, phonon, optoelectronic and thermophysical properties of SnTaS2

SOLID STATE SCIENCES

IF3.3

2022-09-0116

OAAI

DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnC

DFT洞察第一个基于Sc的MAX阶段Sc2SnC中的电子结构，机械行为，晶格动力学和缺陷过程

SCIENTIFIC REPORTS

IF3.9

2022-08-1831

OAAI

Optical response, lithiation and charge transfer in Sn-based 211 MAX phases with electron localization function

具有电子定位功能的Sn基211 MAX相中的光学响应，锂化和电荷转移

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T

IF6.6

2022-05-0119

OAAI

Newly Synthesized Three-Dimensional Boron-Rich Chalcogenides B12X (X = S and Se): Theoretical Characterization of the Physical Properties for Optoelectronic and Mechanical Applications

IF4.3

2021-12-0324

OAAI