First-principles study of magnetic properties in V-doped GaN

Yao, Guang-Rui; Fan, Guanghan; Xing, Haiying; Zheng, Shuwen; Ma, Jiahong; Li, Shuti; Zhang, Yong; He, Miao

doi:10.1016/j.cplett.2012.01.043

Cited by 18 publications

(9 citation statements)

References 35 publications

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“…We obtained for the GaN/V DMH a T c ¼ 1394 K, and for GaN/ Cr DMH a T c ¼ 555 K. There are in the litterature results only for bulk systems. In 2012, three different papers pointed ferromagnetism for bulk GaVN above RT: one of them is an experimental work 22 (which measured T c ¼ 350 K), and the other two are theoretical works, which predicted T c > RT 42 and T c > 350 K. 42 Concerning bulk GaCrN, many experimental measurements have pointed [43][44][45][46][47] a T c lying in the interval 320 K to 460 K. Our results for 2D GaN/V and GaN/ Cr system follow the trend already observed for bulk GaVN 22,42,48 and GaCrN: [43][44][45][46][47]49 above RT T c . Contrasting DMHs approach with the usual DMSs, regarding the same materials, the main difference is that DMHs present a 2D region of extremely high concentration of TM atoms, which, in principle, can favor magnetic ordering, thus leading to higher Curie temperatures, in agreement with our previous results.…”

supporting

confidence: 67%

Digital magnetic heterostructures based on GaN using GGA-1/2 approach

Santos

Marques

Ferreira

et al. 2012

Applied Physics Letters

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We present ab-initio calculations of seven digital magnetic heterostructures, GaN δ-doped with V, Cr, Mn, Fe, Co, Ni, and Cu, forming two-dimensional systems. Only GaN δ-doped with V or Cr present a ferromagnetic ground state with high Curie temperatures. For both, to better describe the electronic properties, we used the GGA-1/2 approach. The ground state of GaN/Cr resulted in a two dimensional half-metal, with 100% spin polarization. For GaN/V, we obtained an insulating state: integer magnetic moment of 2.0 μB, a minority spin gap of 3.0 eV close to the gap of GaN, but a majority spin gap of 0.34 eV.

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supporting

confidence: 67%

Digital magnetic heterostructures based on GaN using GGA-1/2 approach

Santos

Marques

Ferreira

et al. 2012

Applied Physics Letters

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“…Boukra et al [26] obtained a similar result in their first-principles study of the magnetic properties of the Mn-doped c-BN compound. Additionally, a similar behavior has been found for other III nitrides, for example V-doped GaN [45], V-doped AlN [46], and MT (MT¼ V, Cr, Mn, Fe, Co, Ni)-doped AlN [37], where the main contribution to the total magnetic moment comes from the MT ion.…”

Section: Electronic Propertiessupporting

confidence: 62%

Theoretical investigation of the electronic and magnetic properties of TM (TM=Ti, V, and Cr)-doped w-BN compound

Jiménez

López

2016

Journal of Magnetism and Magnetic Materials

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“…However, the literature still lacks the Ti-doped GaN study in the context of anionic defect induced ferromagnetism, although it may prove very important in prospect as Ti could favorably replace Ga in the Ti 3+ form, and would be ultimately le with one unpaired electron thus offering a high exibility to study the effects of the N vacancy in magnetic interaction variation. Ti, for being an important nonmagnetic dopant responsible for inducing favorable ferromagnetism, has been studied in the host environment of ZnO, 31,32 AlN, 33 AlP, 34 and GaN. 35 Motivated by the growing interest in innovative defect-impurity state induced ferromagnetism, a detailed study in the framework of the anionic nitrogen vacancy effects on Ti-GaN is presented here.…”

Section: Introductionmentioning

confidence: 99%