| 1 |
2025 |
Realization of Half-Metallic Ferromagnetism and Physical Property Analysis in Double Perovskites A2FeHfO6 (A= Mg, Ca, Ba, Ra) and A2FeZrO6 (A= Mg, Ca, Ba): A First-Principles Study |
Md Rony Hossain, Mst Shamima Khanom, Prianka Mondal, Farid Ahmed |
Physica B: Condensed Matter, Volume 717, 417805 |
| 2 |
2025 |
Investigation of the half-metallicity signature and pressure-induced physical properties of cubic ACrO 3 (A= Si, Ge, Sn) multiferroic by DFT calculation |
Md Rony Hossain, Mst Shamima Khanom, Prianka Mondal, Farid Ahmed |
Materials Advances, Volume-6 , Issue-18 , Pages (6550-6566), Publisher - Royal Society of Chemistry |
| 3 |
2025 |
First-principles study of the ground-state properties of ternary borides with the Ru3B2X (X = Th, U) type structure: a comparative analysis |
Md. Raihan Islam, Prianka Mondal, and Arpon Chakraborty |
Materials Advances |
| 4 |
2024 |
The Impact of Hydrostatic Pressure on the Structural, Mechanical, Thermal, and Optoelectronic Characteristics of the RbV3Sb5 Kagome Compound: Ab initio Approach |
Prianka Mondal, Md. Raihan Islam, Mst. Shamima Khanom, Farid Ahmed |
ChemistryOpen |
| 5 |
2024 |
Nanoscale Synergy: Unveiling Gas Sensing Paradigms Through First Principles Exploration of Vertical Hexagonal Boron Nitride/Graphene Heterostructures |
Prianka Mondal, Mst. Shamima Khanom, Farid Ahmed |
physica status solidi (b) |
| 6 |
2023 |
First-principles calculations to investigate structural, elastic, thermodynamic, electronic, and optical properties of AgXCl3 (X= Fe, Co & Mn) |
Prianka Mondal, Kamal Hossain, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed |
Computational Condensed Matter |
| 7 |
2023 |
First-principles calculations to investigate effect of uniaxial stress on optical and magnetic properties of Sr2XWO6 (X= Fe, Co & Ni) |
Prianka Mondal, Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed |
Materials Science and Engineering: B |
| 8 |
2023 |
T-BN nanosheets as High-capacity anode for Li-and Na-Ion Batteries: An ab initio study |
Farzana Nazneen, Prianka Mondal, Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed |
Computational and Theoretical Chemistry |
| 9 |
2022 |
An ab initio insight into the structural, physical, thermodynamic and optoelectronic properties of superconducting Heusler-like LiGa2Rh |
Prianka Mondal, Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed |
Physica C: Superconductivity and its Applications |
| 10 |
2022 |
Effect of oxygen defects in tuning the half-metallic and optical nature of Sr2CoXO6 (X= Mo & W): A first-principles study |
Prianka Mondal, Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed |
Materials Chemistry and Physics |
