Electronic structure and magnetic properties of transition-metal (Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag and Cd) doped in GaN nanotubes

Saberi, Seyyed Hassan; Baizaee, Seyyed Mahdy; Kahnouji, Hamideh

doi:10.1016/j.spmi.2014.05.013

Cited by 16 publications

(14 citation statements)

References 21 publications

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“…Figure 8 shows that the 10% Ni and Co-doped (5, 0) GaNNT are nonmagnetic semiconductors showing AFM behavior, while Cr, Mn, Fe, V doped (5, 0) GaNNT exhibit the semiconductor behavior for both up and down spin states and are a good candidate as DMS materials for application as spintronic devices [2,6,[22][23][24]. The total magnetic moments obtained for TM-doped GaNNTs follow Hund's rules and correspond to the results that shi reported [49].…”

Section: Resultsmentioning

confidence: 99%

“…Compared to CNTs, all GaNNTs are semiconductors [16, 17]. Due to the exciting properties of GaNNTs, such as; unique mechanical properties, chemical stability, thermal stability, electrical properties, and, most importantly, high bio‐compatibility, recently, the scientific community has paid more attention to GaNNTs than CNTs [10, 16–24]. The study of GaN nanostructures has also been considered by different groups [10, 16–24].…”

Section: Introductionmentioning

confidence: 99%

“…Due to the exciting properties of GaNNTs, such as; unique mechanical properties, chemical stability, thermal stability, electrical properties, and, most importantly, high bio‐compatibility, recently, the scientific community has paid more attention to GaNNTs than CNTs [10, 16–24]. The study of GaN nanostructures has also been considered by different groups [10, 16–24]. Yang and Goldberger et al reported an epitaxial casting approach for synthesizing single‐crystal GaNNTs on hexagonal ZnO nanowire templates [21].…”

Section: Introductionmentioning

confidence: 99%

“…They have studied the effect of gallium and nitrogen vacancies on the electronic and structural properties of zigzag (5, 0) GaNNT. The diluted magnetic semiconductors (DMSs) are frequently the elements of the (III–V) and (II–VI) group of the periodic table, which is diluted with transition metals (TMs) and utilized as a highly polarized injector in the spintronic industry due to their ferromagnetic (FM) and high spin stability properties [2, 5, 6, 22–24]. The DMS, which has both semiconducting and magnetic properties, is a particular material in the spintronic field.…”

Section: Introductionmentioning

confidence: 99%

“…Compared to pure GaN nanotubes, TM doping can induce magnetic moments, mainly on the 3d-TM atom and its nearest neighbor nitrogen atom. Saberi and coworkers have studied the magnetic and electronic properties of 4d transition-metal (TM = Nb, Y, Zr, Tc, Mo, Rh, Cd, Ru, Ag, and Pd) doped GaNNTs [23]. Although numerous experimental and theoretical studies have been performed on GaN structures [10,[16][17][18][19][20], few studies focus on the magnetic properties of 3d-TMs doped GaNNTs; in this work, we plan to investigate the electronic and magnetic properties alterations of the GaNNTs doped with TMs by varying the position of doped atoms using the DFT.…”

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confidence: 99%

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Modulating spintronic properties of transition metals doped GaN nanotubes with high Curie temperature

Shabani

Movlarooy

Pilehrood

2022

Int J of Quantum Chemistry

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Between the ferromagnetic semiconductors of the III‐V group, the transition metals (TMs) doped gallium nitride (Ga, TM)N diluted magnetic semiconductor (DMS) shows the most well‐understood and promising applications in spintronic, due to its high Curie temperature. In this research, electronic and magnetic properties of pure armchair (3, 3) and zigzag (5, 0) gallium nitride nanotubes (GaNNTs) and doped with TMs are investigated using the spin‐polarized density functional theory. The spin‐polarized DOS revealed that pure zigzag and armchair GaNNTs are nonmagnetic semiconductors with a direct and indirect bandgap, respectively, in contrast, TMs doped GaNNTs are DMS or half metals (HM). Our results show a high Curie temperature of more than 823 K for Cr and Mn doping, indicating may be good room‐temperature ferromagnetic material for spintronic applications in the future. 11% Cr and Mn atoms doped (3, 3) GaNNT are HM with 100% spin polarization and appear to be good candidates for spintronic applications and especially as spin filter devices.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

See 3 more Smart Citations

Modulating spintronic properties of transition metals doped GaN nanotubes with high Curie temperature

Shabani

Movlarooy

Pilehrood

2022

Int J of Quantum Chemistry

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DFT study of electronic and structural properties of single‐walled gallium nitride nanotubes

Shabani

Movlarooy

Pilehrood

2023

Int J of Quantum Chemistry

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The electronic and structural properties of the armchair and zigzag single-walled GaN nanotubes (GaNNTs) are studied by using density functional theory. The effects of tube diameter on the Ga N bond lengths, the axial lattice constant, the Fermi energy, the buckling separation, and the bandgap of the tube are investigated. It is revealed that there is a correlation between the bandgap and the buckling; the smaller the bandgap, the higher the buckling. The results show that by increasing diameter of tubes the buckling separation decreases. The 4p-orbitals of Ga atoms and 2p-orbitals of N have the main role to the valence band maximum and the conduction band minimum, respectively. All armchair and zigzag GaNNTs are semiconductors having indirect and direct bandgap, respectively. It is also found that by increasing the diameter of nanotubes the bandgap increases, for both armchair and zigzag GaNNTs. The consequences of this study can undoubtedly be useful in future experimental works on optoelectronic devices.

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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications

Shilkar,

Adhikari,

Sappati

et al. 2023

J Mol Model

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Electronic structure and magnetic properties of transition-metal (Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag and Cd) doped in GaN nanotubes

Cited by 16 publications

References 21 publications

Modulating spintronic properties of transition metals doped GaN nanotubes with high Curie temperature

Modulating spintronic properties of transition metals doped GaN nanotubes with high Curie temperature

DFT study of electronic and structural properties of single‐walled gallium nitride nanotubes

A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications

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