Jahn-Teller Distortion and Ferromagnetism in the Dilute Magnetic Semiconductors GaN:Mn

Abstract

Using first-principles total-energy methods, we investigate Jahn-Teller distortions in III-V dilute magnetic semiconductors, GaAs:Mn and GaN:Mn in the cubic zinc blende structure. The results for an isolated Mn impurity on a Ga site show that there is no appreciable effect in GaAs, whereas, in GaN there is a Jahn-Teller effect in which the symmetry around the impurity changes from T${}_d$ to D${}_{2d}$ or to C${}_{2v}$. The large effect in GaN occurs because of the localized d${}^4$ character, which is further enhanced by the distortion. The lower symmetry should be detectable experimentally in cubic GaN with low Mn concentration, and should be affected by charge compensation (reductions of holes and conversion of Mn ions to d${}^5$ with no Jahn-Teller effect). Jahn-Teller effect is greatly reduced because the symmetry at each Mn site is lowered due to the Mn-Mn interaction. The tendency toward ferromagnetism is found to be stronger in GaN:Mn than in GaAs:Mn and to be only slightly reduced by charge compensation.

arXiv comment6 pages, 3 figures

References in corpus (10)

• Ferromagnetic semiconductors
• Self-compensation in manganese-doped ferromagnetic semiconductors
• Electronic structure and magnetism of Mn doped GaN
• First-principles investigation of the assumptions underlying Model-Hamiltonian approaches to ferromagnetism of 3d impurities in III-V semiconductors
• Ferromagnetism in Mn doped GaAs due to substitutional-interstitial complexes
• Ferromagnetism of magnetic semiconductors--Zhang-Rice limit
• Correlated defects, metal-insulator transition, and magnetic order in ferromagnetic semiconductors
• Ferromagnetism in Mn-doped GaN: From Clusters to Crystals
• Photoemission studies of Ga${}_{1-x}$Mn${}_x$As: Mn-concentration dependent properties
• Effective Hamiltonian for Ga_{1-x}Mn_xAs in the Dilute Limit

Cited by in corpus (8)

• Theory of ferromagnetic (III,Mn)V semiconductors
• Unraveling the Jahn-Teller effect in Mn doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
• Experimental probing of exchange interactions between localized spins in the dilute magnetic insulator (Ga,Mn)N
• Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)${}_2$As${}_2$
• Electronic structure and Jahn-Teller effect in GaN:Mn and ZnS:Cr
• What is the valence of Mn in Ga${}_{1-x}$Mn${}_x$N?
• Spin filter effect at room temperature in GaN/GaMnN ferromagnetic resonant tunneling diode
• Mn clusterisation in Ga1-xMnxN