YN2 monolayer: Novel p-state Dirac half metal for high-speed spintronics

Liu, Zhifeng; Liu, Junyan; Zhao, Jijun

doi:10.1007/s12274-016-1384-3

Cited by 132 publications

(112 citation statements)

References 47 publications

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“…In the PBE + U approach, the values of T c are 195, 516, and 570 K for CoGa 2 S 4 , CoGa 2 Se 4 , and CoGa 2 Te 4 , respectively. These values are comparable to most founded ferromagnetic half‐metals, although lower than the highest one reported in Fe 2 Si . Considering J 1 is a ground‐state property, the method applied here by comparing different magnetic states tends to overestimate J 1 , which could be 2–3 times larger as shown for metal phosphorous trichalcogenides and double perovskites .…”

Section: Resultssupporting

confidence: 65%

“…Among the intrinsically magnetic 2D materials reported, it is observed that transition‐metal‐centered octahedral unit is one of the key building blocks . The different electronic occupation configurations of transition metal centers and different interaction between transition metals and coordination atoms lead to various exchange processes and magnetic anisotropic strength, and thus various interesting magnetic behaviors observed recently .…”

Section: Introductionmentioning

confidence: 99%

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Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Zhang

Duan

et al. 2019

Adv Funct Materials

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Searching for 2D ferromagnetic materials with a high critical temperature, large spin polarization, and controllable magnetization direction is a key challenge for their broad applications in spintronics. Here, through a systematic study on a series of 2D ternary chalcogenides with first-principles calculations, it is demonstrated that a family of experimentally available 2D CoGa 2 X 4 (X = S, Se, or Te) are half-metallic ferromagnets, and they exhibit high critical temperature, fully polarized spin state, and strain-dependent magnetization direction simultaneously. Following the Goodenough-Kanamori rules, the half-metallic ferromagnetism of CoGa 2 X 4 family is caused by superexchange interaction mediated by CoXCo bonds. The half-metal gaps are large enough (>0.5 eV) to ensure that the half-metallicity is stable against the spin flipping at room temperature. Magnetocrystalline anisotropy energy calculations indicate that CoGa 2 X 4 favor easy plane magnetization. Under achievable biaxial tensile strain (2-6%), the magnetization directions of CoGa 2 X 4 can change from in-plane to out-of-plane, providing a route to control the efficiency of spin injection/detection. Further, the critical temperatures T c of ferromagnetic phase transition for CoGa 2 X 4 are close to room temperature. Belonging to the big family of layered AB 2 X 4 compounds, the proposed CoGa 2 X 4 systems will enrich the available 2D candidates and their heterojunctions for various applications.

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Section: Resultssupporting

confidence: 65%

Section: Introductionmentioning

confidence: 99%

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Zhang

Duan

et al. 2019

Adv Funct Materials

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“…1(a), the Y atom is the inversion center in the octahedral structure unit and the three N atoms in the upper layer will turn into the three N atoms in the lower layer under inversion. The optimised lattice parameter and Y-N bond distance are 3.776 and 2.350Å, respectively, which is in good agreement with previous calculations [46]. Without SOC, we observe a distorted Dirac cone along the M-K high-symmetry line both at the PBE and HSE06 level.…”

Section: Resultssupporting

confidence: 91%

Quantum anomalous Hall effect in a stable 1T-YN₂monolayer with a large nontrivial bandgap and a high Chern number

Kong

Leenaerts

et al. 2018

Nanoscale

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The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.

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“…The hotter topic in the scientific community is atomically thin materials with ferromagnetic properties. Recent theoretical predictions and experimental syntheses of ferromagnetic flat materials opened up new possibilities for their use in spintronic devices. Several years ago, it was theoretically predicted that a cis ‐semi‐hydrated graphene sheet ( cis ‐C 2 H) is ferromagnetic .…”

Section: Introductionmentioning

confidence: 99%

Computational Prediction of the Low‐Temperature Ferromagnetic Semiconducting 2D SiN Monolayer

Tkachenko

Song

Стегленко

et al. 2019

Physica Status Solidi (b)

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Since the discovery of graphene, 2D materials have captured the minds of scientists because of their attractive and unique electronic properties. In particular, magnetic 2D materials have become a subject of extensive discussions today. Using density functional theory calculations, it is shown that 2D SiN sheet (built out of nonmetallic main group atoms) is a ferromagnetic semiconducting material with a magnetic moment 1 μB per unit cell and an indirect bandgap of 1.55 eV. Calculated phonon spectrum and conducted ab initio molecular dynamics simulation reveal thermal and dynamical stability of the designed material. It is shown that the ferromagnetic state is stable up to 20 K. Magnetism of silicon mononitride can be described by the presence of an unpaired electron located on silicon atoms. The semiconducting and ferromagnetic properties of SiN monolayer open many opportunities for its potential use in spintronic and nanoelectronic devices.

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YN2 monolayer: Novel p-state Dirac half metal for high-speed spintronics

Cited by 132 publications

References 47 publications

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Quantum anomalous Hall effect in a stable 1T-YN₂monolayer with a large nontrivial bandgap and a high Chern number

Computational Prediction of the Low‐Temperature Ferromagnetic Semiconducting 2D SiN Monolayer

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YN2 monolayer: Novel p-state Dirac half metal for high-speed spintronics

Cited by 132 publications

References 47 publications

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Intrinsic Half‐Metallicity in 2D Ternary Chalcogenides with High Critical Temperature and Controllable Magnetization Direction

Quantum anomalous Hall effect in a stable 1T-YN2monolayer with a large nontrivial bandgap and a high Chern number

Computational Prediction of the Low‐Temperature Ferromagnetic Semiconducting 2D SiN Monolayer

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Quantum anomalous Hall effect in a stable 1T-YN₂monolayer with a large nontrivial bandgap and a high Chern number