The physical properties of the half-heusler mncobi compound: DFT and monte carlo studies
First-principles calculations and Monte Carlo simulations were employed to examine the
properties of the MnCoBi Half-Heusler alloy across various domains, including its structural …
properties of the MnCoBi Half-Heusler alloy across various domains, including its structural …
A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds
Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
Theoretical investigation of the physical, mechanical, and thermal properties of Zr2XBiNi2 (X: Al, Ga) double half-Heusler alloys
O Douinat, A Boucherdoud, A Seghier… - Journal of Materials …, 2023 - Springer
This study highlights the structural, electronic, optical, mechanical, and thermal properties of
two double half-Heusler (DHH) alloys, Zr2AlBiNi2, and Zr2GaBiNi2, in the context of density …
two double half-Heusler (DHH) alloys, Zr2AlBiNi2, and Zr2GaBiNi2, in the context of density …
[HTML][HTML] Interplay between Structural, Electronic, and Magnetic Properties in the p0-d Semi-Heusler Compounds: The Case of Li-Based Compounds
K Özdoğan, I Galanakis - Crystals, 2024 - mdpi.com
Half-metallic semi-Heusler compounds (also known as half-Heusler compounds) are
currently at the forefront of scientific research due to their potential applications in spintronic …
currently at the forefront of scientific research due to their potential applications in spintronic …
Crystal structure and thermal behavior of three potential high-energy compounds of hydro-closo-borates with guanidinium
The novel guanidinium hydro-closo-borates featuring [B n H n] 2–(n= 10 and 12) anions
were successfully synthesized via the direct reaction of the corresponding free acids,(H 3 O) …
were successfully synthesized via the direct reaction of the corresponding free acids,(H 3 O) …
Electronic, optical, elastic, and thermal properties of the half-Heusler-derived Ti2FeNiSb2: A DFT study
SB Chen, SD Guo, B Lv, YS Ang - Physica B: Condensed Matter, 2024 - Elsevier
The electronic, optical, elastic, and thermal transport properties of half-Heusler-derived
(HHD) Ti 2 FeNiSb 2 are comprehensively characterized via density functional theory. The …
(HHD) Ti 2 FeNiSb 2 are comprehensively characterized via density functional theory. The …
First-principles investigations of thermoelectric behavior of RuCrX (X= Si, Ge, Sn)
The half-Heusler alloys have not only been recognized for spintronic and memory devices
but also for thermoelectric applications. In this research work, the detailed study for …
but also for thermoelectric applications. In this research work, the detailed study for …
Electronic, elastic, optic, thermal dynamic, and thermoelectric properties of the half-Heusler compounds ZrCoBi and TiCoBi
SB Chen, WJ Yan, TH Gao - The European Physical Journal Plus, 2023 - Springer
In this study, the electronic energy band, elastic, optic, thermal dynamic, and thermoelectric
properties of two half-Heusler alloys ZrCoBi and TiCoBi were investigated by using density …
properties of two half-Heusler alloys ZrCoBi and TiCoBi were investigated by using density …
Reentrant topological phase in half-Heusler compounds
Half-Heusler compounds are known for their various compositions and multifunctional
properties including topological phases. In this paper, we investigate the topological …
properties including topological phases. In this paper, we investigate the topological …
Emergence of diverse lanthanum fluorides under high pressure: From insulators to half-metals and superconductors
We present a comprehensive first-principles investigation of the La-F system in rare-earth
fluorides under pressures ranging from 50 to 300 GPa. Our study reveals the existence of …
fluorides under pressures ranging from 50 to 300 GPa. Our study reveals the existence of …