Magnetic ground state in 
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, and 
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 monolayers: Antiparallel magnetic moments at chalcogen atoms

Aras, Mehmet; Kılıç, Çetin; Çiraci, S.

doi:10.1103/physrevb.101.054429

Cited by 39 publications

(12 citation statements)

References 86 publications

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“…[ 19,20 ] The magnetic monolayers are FM ordered within the vdW plane, but each plane is coupled by RKKY exchange in the out‐of‐plane direction, giving rise to an A‐type AFM ordering. [ 19,20,49–51 ] Of further interest is the high Neél transition temperature of 63 K measured for the Ni‐Bi 2 Te 3 AFM layer, which is higher than the MTIs [ 54 ] reported in literature. This makes the present Ni‐Bi 2 Te 3 phase an appealing candidate for high‐temperature QAH and other topological phases that are required for realizing energy‐efficient spintronics and topological quantum computing applications.…”

Section: Resultsmentioning

confidence: 99%

“…These experimental results demonstrate the formation of Ni−chalcogenides: Ni−Te bonds with Ni 2+ oxidation state. The experimental results, along with first-principles density functional theory (DFT) calculations, strongly point toward the AFM topological compound NiBi 2 Te 4 [19,20,[50][51][52][53] as the most likely candidate contributing to AFM order in the Ni-Bi 2 Te 3 layer. The Neél temperature of the Ni-Bi 2 Te 3 layer was measured to be ≈63 K, which is higher than MTIs reported in the literature.…”

Section: Introductionmentioning

confidence: 99%

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Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS‐Compatible Sputtering Technique

et al. 2022

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Breaking time‐reversal symmetry by introducing magnetic order, thereby opening a gap in the topological surface state bands, is essential for realizing useful topological properties such as the quantum anomalous Hall and axion insulator states. In this work, a novel topological antiferromagnetic (AFM) phase is created at the interface of a sputtered, c‐axis‐oriented, topological insulator/ferromagnet heterostructure—Bi2Te3/Ni80Fe20 because of diffusion of Ni in Bi2Te3 (Ni‐Bi2Te3). The AFM property of the Ni‐Bi2Te3 interfacial layer is established by observation of spontaneous exchange bias in the magnetic hysteresis loop and compensated moments in the depth profile of the magnetization using polarized neutron reflectometry. Analysis of the structural and chemical properties of the Ni‐Bi2Te3 layer is carried out using selected‐area electron diffraction, electron energy loss spectroscopy, and X‐ray photoelectron spectroscopy. These studies, in parallel with first‐principles calculations, indicate a solid‐state chemical reaction that leads to the formation of Ni−Te bonds and the presence of topological antiferromagnetic (AFM) compound NiBi2Te4 in the Ni‐Bi2Te3 interface layer. The Neél temperature of the Ni‐Bi2Te3 layer is ≈63 K, which is higher than that of typical magnetic topological insulators (MTIs). The presented results provide a pathway toward industrial complementary metal−oxide−semiconductor (CMOS)‐process‐compatible sputtered‐MTI heterostructures, leading to novel materials for topological quantum devices.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS‐Compatible Sputtering Technique

et al. 2022

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“…In addition to PBE + U + SOC calculations, we also applied the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functionals method [36] to PBE results in order to obtain corrected energy band gap values. It is also known that HSE06 calculations were able to give realistic magnetic ground states and their magnetic moments [37]. In our study the HSE06 functional is constructed by mixing 25% of the Fock exchange with 75% of the PBE exchange and 100% of the PBE correlation.…”

Section: Computational Detailsmentioning

confidence: 99%

Magnetization of silicene via coverage with gadolinium: Effects of thickness, symmetry, strain, and coverage

et al. 2021

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When covered by gadolinium (Gd) atoms, silicene, a freestanding monolayer of Si atoms in a honeycomb network, remains stable above the room temperature and becomes a two-dimensional (2D) ferromagnetic semiconductor, despite the antiferromagnetic ground state of three-dimensional bulk GdSi 2 crystal. In thin GdSi 2 multilayers, even if magnetic moments are ordered parallel in the same Gd atomic planes, they are antiparallel between nearest Gd planes; hence they exhibit a ferrimagnetic behavior. In contrast, a freestanding Gd 2 Si 2 monolayer constructed by covering silicene from both sides by Gd atoms is a stable antiferromagnetic metal due to the mirror symmetry. While multilayers covered by Gd from both sides having an odd number of Gd planes have a ferrimagneticlike ground state, even-numbered ones have antiferromagnetic ground state, but none of them is ferromagnetic. Silicon atoms intervening between Gd planes are responsible for these intriguing magnetic orders conforming with the recent experiments performed on Si(111) surface. Additionally, the magnetic states of these 2D gadolinium disilicide monolayers can be monitored by applied tensile strain and by the coverage/decoration of Gd. These predictions obtained by using first-principles, spin-polarized, density functional theory calculations combined with Monte Carlo simulations herald that C, B, Si, Ge, Sn, and their compounds functionalized by rare-earth atoms can lead to novel nanostructures in 2D spintronics.

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“…For instance, in TMDCs like MoS 2 , magnetic ordering is imparted by doping or hydrogenation [9,10]. VS 2 showed intrinsic ferromagnetism while Fe doped SnS 2 was characterized by a T c of 31 K [11,12]. But it wasn't until 2017 that brought 2D materials having magnetic order to light experimentally; namely Cr 2 Ge 2 Te 6 [13] and CrI 3 [14] that invigorated the interest of researchers to explore the avenue of intrinsic magnetism in such layered systems.…”

Section: Introductionmentioning

confidence: 99%

Investigation of electronic and magnetic properties in vacancy incorporated monolayer magnesium bromide for spintronics application: an ab-initio study

Lahiri

Thangavel

2023

Phys. Scr.

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Alkaline earth-based half-metallic materials attracted spintronics researchers, owing to their outstanding long spin relaxation time and robustness against spin current leakage. Using first principles calculations, defect induced monolayer magnesium bromide (Mg1-xδxBr2; x = 0.11, 0.22, 0.33) systems have been studied for the first time. Among these systems, Mg0.89δ0.11Br2 showed half-metallic nature that finds application in ultra-fast spintronics. Exfoliation energy (0.12 J/m2) calculation revealed the possibility of exfoliation of the monolayer MgBr2 from its bulk. Phonon dispersion plot confirmed dynamical stability of the free-standing monolayer. The formation energy of Mg vacancy defect (VMg) under Br-rich condition (2 eV) showed, defect-induced favourability. Mg0.89δ0.11Br2 has been found to be in a ferromagnetic ground state with a remarkable large spin-up gap (4.84 eV), which limits spin leakage. In addition, significant magnetic anisotropy energy (MAE) per VMg (4.16 meV) has been observed along (100) easy axis direction with a strong ferromagnetic coupling. Electric field modulated electronic structure showed an optimal spin-up gap up to 0.3 V/Å, desirable for the device operation. Robustness of the half-metallicity was confirmed by strain-dependent density of states which is vital during its synthesis and deposition onto a substrate. Hence, from the electronic and magnetic studies, vacancy incorporated monolayer magnesium bromide showed potential applications in spintronics.

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Magnetic ground state in FeTe2,VS2 , and NiTe2 monolayers: Antiparallel magnetic moments at chalcogen atoms

Cited by 39 publications

References 86 publications

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS‐Compatible Sputtering Technique

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS‐Compatible Sputtering Technique

Magnetization of silicene via coverage with gadolinium: Effects of thickness, symmetry, strain, and coverage

Investigation of electronic and magnetic properties in vacancy incorporated monolayer magnesium bromide for spintronics application: an ab-initio study

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