Electronic and optical properties of ۲D VFeSb: case study by DFT

We propose the two-dimensional (۲D) structure of VFeSb and investigate their structural, electronic and optical properties in the framework of first-principles calculations and density functional theory (DFT). By calculating the E-V curve, we found that VFeSb has mechanical stability. From the electronic point of view, this structure is a half metal, which has the integer magnetic moment, so it is a suitable candidate for use in spintronics applications. The dielectric function curve showed that the greatest response to the incident photon and electron transition occurs in the IR and visible light regions, which is suitable for use in optoelectronics. The refraction and extinction coefficients show that in the IR and visible light regions, the amplitude of electromagnetic waves is low, and the reflection coefficient is less than ۴۰% in most energy regions and the V structure behaves transparently.

کلیدواژه ها:

half metals ، heusler ، Monolayer ، optical ، Band Structure