The structural, stability and electronic properties of Li۲CoAl Full Heusler alloy form DFT

In this study, the electronic properties of Li۲CoAl Full Heusler are investigated using densityfunctional theory methods. The GGA approximation has been used to calculate the correlation exchangepotential. The results show that this alloy is dynamically stable. The calculated band structure shows that thiscompound has inter-metallic properties

کلیدواژه ها:

Full Heusler ، density functional theory ، dynamically stable.