Nitrogen defects and ferromagnetism of Cr-doped AlN diluted magnetic semiconductor from first principles

Abstract

High Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V_N). Calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidating the mechanism for the ferromagnetism and exploring high-performance Cr-doped AlN diluted magnetic semiconductors.

arXiv comment8 pages with figures included

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Cited by in corpus (2)

• Stable half-metallic ferromagnetism in nonstoichiometric cubic binary chromium chalcogenides
• Defect induced magnetism and super spin glass state in reactive ion beam deposited nano structured AlN thin films