Magnetic phase stability of transition metals doped (4,4) AlN nanosheet

Int J of Quantum Chemistry

Pilehrood

2022

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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.

Section: Resultsmentioning

confidence: 99%

“…Movlarooy et al have considered the favorite magnetic phase in TM-doped AlN and BN nanosheets [2,6]. Magnetic 3d TM atoms such as Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu were used to make gallium nitride DMS [24,28].…”

mentioning

confidence: 99%

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

Shabani

Int J of Quantum Chemistry

Pilehrood

2022

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“…An important component in the use of spin carriers in spintronic is the injection of polar spin from a ferromagnetic source. A method for polarizing spin injections is the use of ferromagnetic materials and the transition metals (TM) whose d shell is being filled such as Fe, Co, Mn, V, Cr, and Ni [1, 7–13]. But because of the structural noncompliance on the metal, semiconductor binding boundary that results in the scattering and the reduction efficiency in the semiconductor channel, attention has been paid to the diluted magnetic semiconductors (DMS) as a source of polar spin.…”

Section: Introductionmentioning

confidence: 99%

“…But because of the structural noncompliance on the metal, semiconductor binding boundary that results in the scattering and the reduction efficiency in the semiconductor channel, attention has been paid to the diluted magnetic semiconductors (DMS) as a source of polar spin. The DMS are frequently the elements of the (II–VI) and (III–V) group of the periodic table which are diluted with TM and utilized as a high polarized injector in the spintronic industry due to their ferromagnetic and high spin stability properties [1, 7–13]. One specific substance in the spintronic field is the DMS, which possesses both magnetic and semiconducting properties.…”

Section: Introductionmentioning

confidence: 99%

“…polar spin. The DMS are frequently the elements of the (II-VI) and (III-V) group of the periodic table which are diluted with TM and utilized as a high polarized injector in the spintronic industry due to their ferromagnetic and high spin stability properties [1,[7][8][9][10][11][12][13]. One specific substance in the spintronic field is the DMS, which possesses both magnetic and semiconducting properties.…”

mentioning

confidence: 99%

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Transition metals doped (3,3) armchair boron nitride nanosheet as dilute magnetic semiconductors materials for the spintronic application

Malek

Int J of Quantum Chemistry

Pilehrood

2022

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Magnetic 2D materials have attracted considerable attention for their significant potential application in spintronic. In this work, the effect of substitutional doping of 3d‐transition metals such as Co, Cr, Mn, and Fe on the magnetic and electronic properties of boron nitride nanosheet (BNNS) was studied based on the spin‐polarized density functional theory. The results revealed that the non‐magnetic and semiconducting behavior of BNNS can be altered by magnetically active dopants. The spin‐polarized density of states suggests that pure BNNS is a nonmagnetic semiconductor with a direct bandgap while transition metals doped BNNS are dilute magnetic semiconductors or half metals (HM). Co doping shows the most stable ferromagnetic phases in the nanosheet. A pair of Mn and Co atoms doped BNNS in edge structure show HM property with 100% spin polarization and seem to be good candidates for spintronic applications and especially as spin filter devices and spin current injectors.

Simulation of NO_x and CO_x Gas Sensor based on Pristine Armchair Stanene Nanoribbon

Fadardi

2023

Advcd Theory and Sims

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In this study, the adsorption of the most common hazardous gases (CO, NO, NO2, and CO2) on the stanene armchair nanoribbon of width 6 (H‐ASnNR(6)) is investigated using density functional theory. The most stable adsorption sites, adsorption energies, charge transfer, electronic features, transmission spectra, and current–voltage analysis are explored. All molecules are physisorbed on H‐ASnNR(6) through van der Waals interactions, indicating a potential use for this material in recoverable gas sensors, and all gas molecules act as acceptors. Additionally, the highest and the lowest charge transfer is related to the NO and CO2 molecules, respectively. It is revealed that the adsorption of NO and NO2 affects the electronic properties of the H‐ASnNR(6), and the system displays conducting behavior, while the influence of CO and CO2 gas molecules on the electrical properties of H‐ASnNR(6) is relatively small. The results demonstrate that compared to pristine H‐ASnNR(6), the transmission function of the gas plus H‐ASnNR(6) system undergoes a significant change, particularly after the adsorption of NO and NO2 molecules. The presence and absence of the molecules are shown by current–voltage (I–V) characteristic results. The results suggest that H‐ASnNR(6) has the potential to be used in gas molecule detection applications.