Electronic structure and Jahn-Teller effect in GaN:Mn and ZnS:Cr

Abstract

We present an ab-initio and analytical study of the Jahn-Teller effect in two diluted magnetic semiconductors (DMS) with d4 impurities, namely Mn-doped GaN and Cr-doped ZnS. We show that only the combined treatment of Jahn-Teller distortion and strong electron correlation in the 3d shell may lead to the correct insulating electronic structure. Using the LSDA+U approach we obtain the Jahn-Teller energy gain in reasonable agreement with the available experimental data. The ab-initio results are completed by a more phenomenological ligand field theory.

arXiv comment15 pages, 5 figures

References in corpus (15)

• Hole-mediated ferromagnetism in tetrahedrally coordinated semiconductors
• CrO2: a self-doped double exchange ferromagnet
• Electronic structure and magnetism of Mn doped GaN
• Unraveling the Jahn-Teller effect in Mn doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
• Different origin of the ferromagnetic order in (Ga,Mn)As and (Ga,Mn)N
• On-site Coulomb interaction and the magnetism of (GaMn)N and (GaMn)As
• High TC ferromagnetism in diluted magnetic semiconducting GaN:Mn films
• Hole states in wide band-gap diluted magnetic semiconductors and oxides
• Structural and paramagnetic properties of dilute Ga1-xMnxN
• Ferromagnetism in Mn-doped GaN: From Clusters to Crystals
• Electronic structure of the substitutional versus interstitial manganese in GaN
• Jahn-Teller Distortion and Ferromagnetism in the Dilute Magnetic Semiconductors GaN:Mn
• Crystal field theory of Co${}^{2+}$ in doped ZnO
• Magneto-optical spectroscopy of (Ga,Mn)N epilayers
• Magnetism in Cr-doped ZnS: Density-functional theory studies

Cited by in corpus (7)

• Hard x-ray emission spectroscopy: a powerful tool for the characterization of magnetic semiconductors
• Aggregation and magnetism of Cr, Mn, and Fe cations in GaN
• Crystal field model simulations of magnetic response of pairs, triplets and quartets of Mn${}^{3+}$ ions in GaN
• Determination of the Fermi Level Position in Dilute Magnetic Ga${}_{1-x}$Mn${}_x$N Films
• Nitrogen and fluorine doped ZrO${}_2$: A promising $p$-$n$ junction for ultraviolet light-emitting diode
• Exchange coupling and Mn valency in GaN doped with Mn and co-doped with Mg
• Pair anisotropy in disordered magnetic systems