RESEARCH PAPER · Computational Condensed Matter · 2022
The first-principle study on structural, mechanical, electronic and optical properties of half-metallic CaMSi2O6 (M= Co, Fe, Mn) clinopyroxenes
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Density functional theory analysis of the adsorption behaviors of H 2 O and CO 2 on the CaCl 2 (110) surface
New Journal of Chemistry · 2022-12-20
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Read original paper ↗ ·Electronic, magnetic, and pressure-induced elastic investigaments of MnY2O4 oxide spinel
The European Physical Journal Plus · 2023-01-13
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Read original paper ↗ ·Computational determination of La substitution in promising XO2 (X = Ce, Zr, Sn): emerging materials for optoelectronic applications
The European Physical Journal B · 2024-02-01
Muhammad Moin, Abdul Waheed Anwar, Mehrunisa Babar, Anwar Ali, R. Bilal
Read original paper ↗ ·First-principles investigation of half-metallic CaTGe2O6 (T = Mn, Fe, Co) clinopyroxenes: Potential for spintronics and optoelectronics applications
Heliyon · 2024-12-17
Tasmi Akter, Jahirul Islam, Kamal Hossain, Rabeya Akter Rabu
Read original paper ↗ ·First-principles investigation of LiSnAl and LiSiIn half-Heusler compounds for optoelectronic applications
RSC Advances · 2025-01-01
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Read original paper ↗ ·The Effect of DFT and DFT + U Calculations on the Crystal Structure of the Diopside (CaMgSi2O6)–Hedenbergite (CaFeSi2O6) Solid Solution Series
Minerals · 2026-03-22
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Acta Astronautica · 2026-10-01
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