Magnetism in 3d transition metal doped SnO

Using first-principles calculations, the structural and electronic properties of monolayer SnO doped with 3d transition metals from V to Ni were investigated. The results indicate that the substitutional doping is preferred under oxygen-rich conditions for all transition metals. In addition, all dopants induce magnetism by forming TMsub except for Ni. Such a magnetic behavior is due to the interaction between the dopants and the surrounding Sn/O atoms. The stability and the origin of magnetism are investigated by considering different defect complexes. The results show that a defect complex composed of substitutional dopants and oxygen vacancies has the same magnetic moment as that of substitutional dopants of TMsub alone, whereas the magnetic moments of defect complexes composed of ubsubstitutional, TMsub, and tin vacancy, VSn, vary significantly. The moments of defect complexes, such as (Cosub + VSn) and (Nisub + VSn), are enhanced compared to those of the substitutional alone. On the other hand, the magnetic moments of (Fesub + VSn) and (Mnsub + VSn) are the same as those of substitutional dopants alone, whereas (Crsub + VSn) and (Vsub + VSn) have lower magnetic moments than single TMsub.

Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Transition Metal-Doped Tin Monoxide Monolayer: A First-Principles Study

Wang

2018

“…14 Generally, spin polarization and magnetism can be induced in 2D semiconductors by different methods, such as surface defects, 15 transition metal atom doping, and adsorption. 16,17 However, these methods are difficult to be controlled precisely in experiment. Therefore, it is necessary to deposit SnO monolayers on magnetic substrates, which is expected to introduce spin polarization in the SnO monolayers by a magnetic proximity effect.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Tao et al reported that B–, C–, N–, O–, and F-adsorption can tailor the magnetic and electronic properties of SnO monolayers . Generally, spin polarization and magnetism can be induced in 2D semiconductors by different methods, such as surface defects, transition metal atom doping, and adsorption. , However, these methods are difficult to be controlled precisely in experiment. Therefore, it is necessary to deposit SnO monolayers on magnetic substrates, which is expected to introduce spin polarization in the SnO monolayers by a magnetic proximity effect. , The magnetic proximity effect can effectively induce spin polarization in 2D monolayer semiconductors, such as WTe 2 /Fe 3 O 4 (111), graphene/Fe 4 N(111), and MoS 2 /Fe 4 N(111) heterostructures. − Yang et al illustrated that graphene can strongly enhance the perpendicular magnetic anisotropy (PMA) of Co films, which indicates that the magnetic anisotropy energy (MAE) of 2D materials/ferromagnetic interfaces can be modulated. , In the magnetic proximity effect, the ferromagnetic substrate with large spin polarization and a high Curie temperature is important, where the cubic Fe 4 N has large spin polarization and a high Curie temperature of 760 K. , Moreover, a small lattice mismatch appears between the SnO monolayer and Fe 4 N(001).…”

Section: Introductionmentioning

confidence: 99%

Spin-Dependent Electronic Structure and Magnetic Anisotropy of Two-Dimensional SnO/Fe₄N Heterostructures

Nie

Wang

2019

Two-dimensional (2D) SnO monolayers have attracted much attention owing to their unique electronic structure, which have potential applications in high-performance electronic devices. However, it is necessary to induce spin polarization in 2D SnO monolayers for their practical applications in spintronics. Here, the tunable spin-dependent electronic structure and magnetic anisotropy of SnO/Fe4N heterostructures are investigated systematically by first-principles calculations. The spin polarization and magnetism are induced in monolayer SnO by the interfacial proximity of Fe4N substrates. Except for model 1, the SnO monolayer shows perpendicular magnetic anisotropy (PMA) in different stacking patterns. Compared to other stacking patterns, Fe4N in model 2 shows a larger interfacial and inner PMA, where the maximum value reaches 2.34 mJ/m2. However, at a tensile strain of 2%, the layer V of Fe4N shows a transition from PMA to in-plane magnetic anisotropy (IMA). At compressive strains of −4 and −6%, layers IV, V, and VII of Fe4N turn from PMA to IMA. Importantly, monolayer SnO in model 2 shows PMA at a strain from −6 to 6%. These results suggest that the 2D SnO/Fe4N heterostructures have potential applications in low-dimensional spintronic devices.

“…Because of its potential application in spintronic devices, the ferromagnetism of SnO 2 has been investigated in both its undoped form and its doped form by transition metals. − Obvious ferromagnetism has been observed at room temperature for both pristine SnO 2 films and nanocomposites, which is believed to stem from surface and lattice defects as well as from oxygen vacancies. − Theoretical calculations further suggest that neutral cation vacancies induce ferromagnetism in SnO 2 . , Recently, the ferromagnetism of stannous oxide has also become of concern. SnO powder samples doped with Mn, Co, Ni, and other 3d transition metals, − and hole-doped SnO monolayer, have been studied both experimentally and theoretically. To the best of our knowledge, however, there have not been any reports on the ferromagnetism of undoped SnO nanoparticles.…”

Section: Introductionmentioning

confidence: 99%

A Study on the Weak Ferromagnetism of Nanocrystalline Stannous Oxide Induced by L-Shaped O–Sn–O Vacancies

Lian

Huang

2018

Nanocrystalline stannous oxide (SnO) powder has been prepared by ball-milling of micrometer-SnO in a nitrogen atmosphere. A cation deficiency of 6.5% was found in the nano-SnO sample by X-ray photoelectron spectroscopy. After annealing at 350, 450, or 550 °C under dynamic vacuum conditions, oxygen vacancies were found in the nano-SnO samples, as verified by electron paramagnetic resonance experiments. The samples displayed weak ferromagnetism; the sample with both 6.5% Sn and at least 7.5% O vacancies showed the maximum saturation magnetization, reaching almost 1.7 × 10–3 emu/g at room temperature. The O vacancies tended to gather around Sn vacancies. An L-shaped defect model composed of one Sn and two O vacancies has been established, and its ferromagnetism has been calculated by a first-principles method. We found that the L-shaped defect induced a magnetic moment of 0.55 μB in the SnO lattice, the main contribution to which came from a spin-polarized electron in the p orbital of a corner Sn atom.