Structural Optimization, Electronic Band Structure, Mechanical and Thermodynamics Properties of Fe3Al
I. S. Okunzuwa & E. Aigbekaen Eddy · Physical Science International Journal · 2021
We calculated the structural, electronic, mechanical and thermal properties of Fe3Al semiconducting using Quantum ESPRESSO, an open source first principles code based on density-functional theory, plane waves, and pseudopotentials. Structural parameter results (equilibrium lattic...
Open access
Research Article
10.9734/psij/2021/v25i230239