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Shamim Khan

Observed names: Khan, S., Khan, S. H., S. H. Khan, S. Khan
ORCID: 0000-0002-0602-8739
Observed ORCID: 0000-0002-0602-8739
OpenAlex ID: A5102378353
Electronic and magnetic properties of alkali metal chlorides A2MCl6 (A = K, Rb, Cs; M = Mn, Mo): A density functional theory study
2019 · M. Faizan, S. H. Khan, et al. · International Journal of Modern Physics B · 27
Computational Study of Defect variant Perovskites A2BX6 for Photovoltaic Applications
2020 · Faizan, M., Bhamu, K. C., et al. · arXiv (Cornell University) · 21
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The effect of PBEsol GGA and mBJ potentials on the structural, electronic, optical, elastic and thermoelectric properties of A2BAuI6 (A = K or Rb or Cs, B = Sc or Y)
2024 · Nabeel Israr, Muhammad Awais Jehangir, et al. · Materials Science in Semiconductor Processing · 16
Carrier effective masses and thermoelectric properties of novel Ag3AuSe2 and Ag3AuTe2 compounds
2017 · M. Faizan, Hayat Ullah, et al. · International Journal of Modern Physics B · 16
Computational insights into structural, electronic, optical, and thermoelectric properties of novel, stable 2D Mg₂Al₂Se₅ and Mg₂Al₂Te₅ monolayers for optoelectronic and heat conversion applications
2026 · Zahid Ullah, Shamim Khan, et al. · Optical and Quantum Electronics · 12
Novel stable semiconductor for high-performance optoelectronic and transport properties of 2D MgPTe 3 monolayer for effective photocorrosion-based water splitting and waste heat energy conversion applications
2026 · Zahid Ullah, Shamim Khan · International Journal of Modern Physics B · 11
Exploring the Structural, Mechanical and Optical Properties of K2InGaX6 (X = Cl, Br or I) Compounds by Density Functional Theory
2025 · Nabeel Israr, Shamim Khan, et al. · Journal of Inorganic and Organometallic Polymers and Materials · 10
Exploring the stability, optoelectronic, and thermoelectric properties of Sc-based double perovskites X₂ScAgI₆ (X = K, Rb, Cs) for renewable energy applications
2024 · Muhammad Awais Jehangir, G. Murtaza, et al. · Computational Condensed Matter · 10
Pnictogen-based zintl Compounds: Unlocking the electronic, optical, and thermoelectric potential of Mg2ZnX2 (X = P, as, sb)
2025 · Sidra Naz, Nabeel Israr, et al. · Journal of Physics and Chemistry of Solids · 7
Structural, elastic, electronic and magnetic properties of Ba2XOsO6 (X = Li, Na, Ca) double perovskites
2016 · M. Faizan, S. H. Khan, et al. · Indian Journal of Physics · 7
Exploring the electronic structure, mechanical, optical, and thermoelectric performance of A₂LaAuCl₆ (A = K, Rb, Cs) via FP-LAPW + lo calculations
2025 · Nabeel Israr, Shamim Khan, et al. · Gold bulletin · 4
First‐principles investigation of double halide perovskite Li2GeSnX6 (X = Cl, Br, I) materials for energy conversion applications
2025 · Mohib Ullah, Naqeeb Ullah, et al. · Journal of the Chinese Chemical Society · 4
Effect of Cations Transmutation on the Electronic Structure and Optical Properties of Lead-Free Perovskites A2BX6
2020 · Muhammad Faizan, K.C. Bhamu, et al. · arXiv (Cornell University) · 4
Advanced Computational Study on the Lead‐Free Halide Double Perovskites Cs 2 RbYX 6 (X = Cl, Br, I): Insights into Structural, Optical, and Thermal Properties
2026 · Muhammad Saeed, Ghulam Murtaza, et al. · Advanced Theory and Simulations · 3
First-principle study of electronic, optical and transport properties for A₂CdB₄ (A = Sc, Y; B = S, Se) spinel chalcogenides under strain condition
2026 · Ubaid Ur Rahman, Naglaa AbdelAll, et al. · Scientific Reports · 2
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New even-parity energy levels of atomic praseodymium discovered by laser spectroscopy
2026 · Shamim Khan, Imran Siddiqui, et al. · Journal of Quantitative Spectroscopy and Radiative Transfer · 1
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Exploring structural, electro-optic, elastic, and thermoelectric properties of double perovskites A2ScCuCl6 (A = Li, Na) via DFT study
2026 · Muhammad Ibrar, Shamim Khan, et al. · Indian Journal of Physics · 1
Novel stable 2D MgAsSe3 monolayer for photocatalytic water splitting, thermoelectric and optoelectronic applications: A first-principles study
2026 · Zahid Ullah, Shamim Khan, et al. · Journal of Physics and Chemistry of Solids
Unveiling X 2 LaAuI 6 Through First Principles Study: Photocatalytic, Optoelectronic, and Thermoelectric Properties
2026 · Muhammad Awais Jehangir, Yang Gao, et al. · Advanced Theory and Simulations
First-principles investigation of photovoltaic potential, photocatalytic, and thermoelectric performance in vanadium-based double perovskites Ba₂XVO₆ (X = Al, Ga, Sc)
2026 · Khalil Ullah, Naglaa AbdelAll, et al. · Materials Today Communications
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Investigation of the electronic, optical and thermoelectric properties of MgA2B4 (A = Sc, Y; B = S, Se) compounds by using density functional theory under strain effect
2026 · Ubaid Ur Rahman, Ahmed B.M. Ibrahim, et al. · Radiation Physics and Chemistry
Investigate Pressure Dependent Electronic, Optical, and Thermoelectric Properties of MgLu 2 X 4 (X = S, Se) Through FP ‐ APW +lo
2026 · Muhammad Saeed, Shamim Khan, et al. · Journal of the Chinese Chemical Society
Strain‐Dependent Electronic, Optical, and Thermoelectric Properties of ZnX 2 Z 4 (X = Sc, Y; Z = S, Se) Spinel Compounds from First‐Principles Calculations
2026 · Ubaid Ur Rahman, Ahmed B. M. Ibrahim, et al. · Advanced Theory and Simulations
Computational investigation of the structural, mechanical and acoustic characteristics of rare earth based Heusler compounds
2024 · Waqas Saeed, Muhammad Saeed, et al. · Computational Condensed Matter
CCDC 816344: Experimental Crystal Structure Determination
2011 · Murtaza, G., Badshah, A., et al. · The Cambridge Structural Database
Works count: 30
Citation count: 156
H-index: 8
I10-index: 8
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