Structural stability, electronic, magnetic and thermoelectric properties for half-metallic quaternary Heusler alloys CrLaCoZ
Using first-principles calculations, we predict the CrLaCoZ (Z= Al, Ga, In, Ge, Sn, Pb)
Heusler alloys to be half-metals, and their total magnetic moments follow the Slater-Pauling …
Heusler alloys to be half-metals, and their total magnetic moments follow the Slater-Pauling …
Mechanical, optoelectronic and thermoelectric properties of the transition metal oxide perovskites YScO3 and LaScO3: first principle calculation
In this paper, we report a density functional theory (DFT) calculation study based on the full
potential linear augmented plane wave (FP-LAPW) to discuss the mechanical stability as …
potential linear augmented plane wave (FP-LAPW) to discuss the mechanical stability as …
Investigation of the electronic properties of a topological semimetal LaAuPb under uniaxial strain and hydrostatic pressure: A DFT approach
In this study, we utilized first-principles calculations to investigate the structural, electronic,
mechanical, and vibrational properties of the topological semimetal LaAuPb. Our research …
mechanical, and vibrational properties of the topological semimetal LaAuPb. Our research …
Stability, electronic and magnetic properties of half-metallic alloy CrLaCoAl (100) surface
In our previous works [Liu et al.(2022)], the quaternary Heusler alloy CrLaCoAl had been
predicted to be half-metallic ferrimagnet with high Curie temperature, and it met the dynamic …
predicted to be half-metallic ferrimagnet with high Curie temperature, and it met the dynamic …
Structural, mechanical, electronic, thermal, and optical properties of the inverse-Heusler compounds X2RuPb (X= La, Sc): A first-principles investigation
Topological insulators are novel quantum material states with insulating bulk band gaps and
topologically protected metallic surface states that have been extensively studied owing to …
topologically protected metallic surface states that have been extensively studied owing to …
First principle study of structural, electronic, magnetic, optical and thermal properties of chalcogenides XFeSe2 (X= Li, Na and K) half metallic compounds
Half-metallic ferromagnets (HMF) are one of the most essential materials for spintronics and
other energy applications. The electronic, magnetic, optical and transport properties of …
other energy applications. The electronic, magnetic, optical and transport properties of …
First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound
NF AlShaikh Mohammad, MS Abu-Jafar… - Optical and Quantum …, 2024 - Springer
In this work, the WIEN2k computer code was used to investigate the structural, elastic,
electronic, magnetic, optical, thermoelectric, and dynamic properties of the CoCrTe half …
electronic, magnetic, optical, thermoelectric, and dynamic properties of the CoCrTe half …
Evidence of half-metallicity and multiferroic characters of tetragonal BaTi0. 875Fe0. 125O3: DFT-based calculation
In this paper, we discuss significant results obtained in both electronic and magnetic
properties when the insulator, non magnetic but ferroelectric tetragonal oxyde perovskite …
properties when the insulator, non magnetic but ferroelectric tetragonal oxyde perovskite …
Anomalous transverse effects in nodal line compounds Co2TaX (X= Al, Ga)
The magnetic ground state, electronic, and elastic properties of Co 2 TaX (X= Al, Ga) are
investigated using Density functional theory calculations. The compounds are found to …
investigated using Density functional theory calculations. The compounds are found to …
[HTML][HTML] FP-LAPW study of structural, magnetic, electronic, elastic, and thermoelectric properties of CoCrS Half-Heusler compound
The present article has utilized the WIEN2k computational code to examine the structural,
elastic, electronic, magnetic, thermoelectric, and dynamic aspects of the CoCrS Half-Heusler …
elastic, electronic, magnetic, thermoelectric, and dynamic aspects of the CoCrS Half-Heusler …