Investigation of the electronic properties of a topological semimetal LaAuPb under uniaxial strain and hydrostatic pressure: A DFT approach
MI Babalola, OR Jolayemi, OOE Enaroseha… - Journal of Physics and …, 2024 - Elsevier
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 …
Machine-learning assistant DFT study of half-metallic full-Heusler alloy N2CaNa: Structural, electronic, mechanical, and thermodynamics properties
We studied the structural, electronic, mechanical, and thermodynamic properties of N 2
CaNa full Heusler alloys using density functional theory (DFT). Results for the structural …
CaNa full Heusler alloys using density functional theory (DFT). Results for the structural …
Origin of Metallicity in Molybdenum: A First Principle Calculation
OOE Enaroseha, O Oyibo, AB Umukoro… - Physics of the Solid …, 2024 - Springer
This study focuses on the electronic band structure, lattice dynamics, density of states, and
mechanical properties of molybdenum (Mo), using first-principle calculations. The results …
mechanical properties of molybdenum (Mo), using first-principle calculations. The results …