Nanosegregated amorphous AlBN2 alloy

Abstract

We use ab initio molecular dynamics simulations to create an amorphous AlBN2 model and find that it consists of nanosegregated two-dimensional hexagonal BN-like and tetrahedral AlN-like domains. These domains are somewhat homogenously distributed in the network. There exist no chemical disorder and Al-B bonding. Amorphous AlBN2 is a semiconductor having a theoretical band gap energy of approximate to 2.24eV, larger than that of amorphous AlN and BN systems. This amorphous nitride might find some applications as an electronic material.