TUNING THE "d0" FERROMAGNETISM IN In2O3 QUANTUM DOTS BY DANGLING BONDS AND VACANCY BASED ON THE FIRST-PRINCIPLE CALCULATION

Abstract

It is difficult to tune the magnetic properties of oxide diluted magnetic semiconductors because of the origin of ferromagnetism (FM) under different versions. Using first-principles band-structure calculations, we find that the surface oxygen dangling bonds and Indium vacancy may be responsible for the unexpected ferromagnetism in undoped In 2 O 3 quantum dots (QDs). The surface oxygen dangling bonds produce a magnetic moment of 6 μB, which primarily distribute on the surface oxygen atoms and an Indium vacancy ( V In ) produce a magnetic moment of 3 μB, which primarily distribute on the six O nearest neighbors of the vacancy center. The origin of the collective magnetic moments are the holes which introduced by the surface oxygen dangling bonds and Indium vacancy.