Study of the chromium doping effect in boron phosphide semiconductors

According to the firs-principles theory-based spin-density functional calculations within the framework of Wu-Cohen generalized gradient approximation (WC-GGA), we examine the structural and electronic properties of ternary alloys of zinc-blende boron phosphide doped with chromium. We compare the materials with aluminum phosphide that exhibits half-metallic properties at various concentrations. The curves of total and partial densities of states and the band structures show that B1-xCrxP are purely metallic and can be possible candidates for use in light emitting diodes (LEDs). These compounds are not polarized on spins; the main cause is the nature of chemical bond located between the boron cations and the phosphorus anion, whereas the ternary materials of Al1-xCrxP all have various uses in spintronic science according to many studies because of their half-metallicity behavior.

Automated summary

The study shows that ternary alloys of zinc-blende boron phosphide doped with chromium have metallic properties and may be used in LEDs, while the ternary materials of Al1-xCrxP exhibit half-metallicity behavior and have various applications in spintronic science. The difference in the nature of the chemical bonds between boron cations and phosphorus anions contributes to the unique properties of B1-xCrxP compounds.