RESEARCH PAPER · Computational Condensed Matter · 2020
First principle calculation of mechanical stability, opto-electronic and thermo-electric properties of TaIrGeSn (0 ≤ x ≤ 1) Half-Heusler alloy
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First-principles calculations of inherent properties of Rb based state-of-the-art half-Heusler compounds: promising materials for renewable energy applications
Physica Scripta · 2021-07-06
Peeyush Kumar Kamlesh, Rohit Agarwal, Upasana Rani, Ajay Singh Verma
Read original paper ↗ ·Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strain
Journal of Solid State Chemistry · 2021-08-18
Nisha, Hardev S. Saini, Sunita Srivastava, Manish K. Kashyap
Read original paper ↗ ·Comprehensive ab-initio calculations of AlNiX (X = P, As and Sb) half-Heusler compounds: Stabilities and applications as green energy resources
Materials Chemistry and Physics · 2021-09-11
Peeyush Kumar Kamlesh, Rohit Agrawal, Upasana Rani, Ajay Singh Verma
Read original paper ↗ ·First-principles study on B2 based XAl(X = Rh, Ru)compounds
Physica Scripta · 2021-11-19
İlknur Kars Durukan, Yasemin Oztekin Ciftci
Read original paper ↗ ·Recent advances in designing thermoelectric materials
Journal of Materials Chemistry C · 2022-01-01
Madhubanti Mukherjee, Ashutosh Srivastava, Abhishek Kumar Singh
Read original paper ↗ ·Study of structural, electronic, elastic, optical and thermoelectric properties of half-Heusler compound RbScSn: A TB-mBJ DFT study
Optical and Quantum Electronics · 2022-05-22
Besbes Anissa, Djelti Radouan, İlknur Kars Durukan
Read original paper ↗ ·Photovoltaic Performance Investigation of Cs 3 Bi 2 I 9 -Based Perovskite Solar Cells with Various Charge Transport Channels Using DFT and SCAPS-1D Frameworks
Energy & Fuels · 2023-05-05
M. Khalid Hossain, Gazi Farhan Ishraque Toki, Dip Prakash Samajdar, Mirza H. K. Rubel, Muhammad Asim Mushtaq, Md. Rasidul Islam, Md. Ferdous Rahman, Sagar Bhattarai, Hichem Bencherif, Mustafa K. A. Mohammed, Rahul Pandey, Jaya Madan
Read original paper ↗ ·Mechanical, vibration, and optical properties of IrAl intermetallic compound via DFT calculations: high-pressure effect
Physica Scripta · 2023-05-25
İlknur Kars Durukan
Read original paper ↗ ·Thermoelectric and Optical Properties of Half–Heusler Compounds RbYX (X = Si, Ge): a First Principle Study
Springer Proceedings in Materials · 2023-11-20
Dinesh Kumar, Prakash Chand
Read original paper ↗ ·A holistic approach to understanding structural, magneto-electronic, thermoelectric, and thermodynamic properties of RhMnZ (Z = Si, Ge) half Heusler alloys
Physical Chemistry Chemical Physics · 2024-01-01
Bharti Gurunani, Dinesh C. Gupta
Read original paper ↗ ·Strain induced high thermoelectric performance of ScAgX (X=Si, Ge, Sn) half- Heusler alloys: A first principles approach
Physica B Condensed Matter · 2025-06-05
Rekha Rani, M. M. Sinha
Read original paper ↗ ·Ab initio study of HfPdY (Y = Si, Ge, Sn): insights into electronic, optical, and thermoelectric behavior
Discover Chemistry. · 2026-05-06
Rilwan O. Balogun, Ikechukwu Otete, Chioma Adaku Ejelonu, Akudo P. Ijezie, Edith U. Ofor, M. I. Babalola
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