Computational study of LiAlSi, LiAlGe and LiGaSi Half-Heusler alloys for opto-electronic applications
In this comprehensive investigation, the structural, elastic, electronic, optical, thermodynamic
and thermoelectric properties of Lithium-based ternary semiconductors, namely LiAlGe …
and thermoelectric properties of Lithium-based ternary semiconductors, namely LiAlGe …
First-principles investigation of Rb2NaXCl6 (X= In, Tl) compounds for energy harvesting applications
Lead free halide double perovskites (HDPs) have attracted significant interest of the
scientific community owing to their better stability, low cost, and eco-friendly nature, and high …
scientific community owing to their better stability, low cost, and eco-friendly nature, and high …
Exploring the structural, electronic, elastic, optical and thermoelectric properties of silver-based half-Heusler semiconductors AgYTe (Y= Li, Na, and K)
In this research, we explore the properties of AgYTe (where Y= Li, Na, and K) half-Heusler
compounds using density functional theory and semi-classical Boltzmann transport theory …
compounds using density functional theory and semi-classical Boltzmann transport theory …
[HTML][HTML] First-principles investigation of electronic, magnetic, and optical properties of FeMnSb/GaZ (Z= As or P) interfaces
We systematically investigated the electronic, magnetic, and optical properties of the
FeMnSb half-Heusler alloy, its (001) surface, and its interfaces with GaAs and GaP …
FeMnSb half-Heusler alloy, its (001) surface, and its interfaces with GaAs and GaP …
[HTML][HTML] First-principles calculations to investigate the bulk, electronic, optical and thermoelectric properties of BaGe2As2 and BaGe2P2 alloys
D Nameme, GS Manyali, MN Waswa, JW Wafula - Results in Materials, 2024 - Elsevier
The structural, elastic, electronic, and optical properties of BaGe 2 As 2 and BaGe 2 P 2
have been theoretically investigated, but their thermoelectric properties have not been …
have been theoretically investigated, but their thermoelectric properties have not been …