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

Zhang, Shuqing; Xu, Runzhang; Duan, Wenhui; Zou, Xiaolong

doi:10.1002/adfm.201808380

Cited by 79 publications

(63 citation statements)

References 64 publications

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“…We also estimated the T c of CoPS 3 with FM half-metallicity by mean-field theory (MFT). The highest T c can even be higher than 330 K after considering the overestimation from MFT [9], indicating the pressure-induced FM half-metallicity can exist above room temperature (details are shown in Fig. S6 and Table S5).…”

Section: Electronic Structures Under Different Pressures and Its Tranmentioning

confidence: 99%

“…Interestingly, MAEs in the hole doping cases are about one order of magnitude larger than those of electron doping cases. Even for the MnB [9,60]. The underlying mechanism for such enhancement in MAE deserves further investigation.…”

Section: Magnetic States Controlled By Carrier Dopingmentioning

confidence: 99%

“…Later, itinerant ferromagnetism was observed in Fe 3 GeTe 2 , with much elevated Curie temperature (T c ) [6]. These results have further ignited the enthusiasm of researchers to extensively search for other magnetic materials, including half-metals [7][8][9][10][11][12][13][14][15][16][17], half-semiconductors [18][19][20], bipolar magnets [21], etc. [22].…”

Section: Introductionmentioning

confidence: 99%

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Tunable magnetism in layered CoPS3 by pressure and carrier doping

Zhang

Zou

2020

Sci. China Mater.

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Despite extensive research on recently discovered layered ferromagnetic (FM) materials, their further development is hampered by the limited number of candidate materials with desired properties. As a much bigger family, layered antiferromagnetic (AFM) materials represent excellent platforms to not only deepen our understanding of fundamental physics but also push forward high-performance spintronics applications. Here, by systematic first-principles calculations, we demonstrate pressure and carrier doping control of magnetic properties in layered AFM CoPS 3 , a representative of transition metal phosphorus trichalcogenides. In particular, pressure can drive isostructural Mott transition, in sharp contrast to other transition metal thiophosphates. Intriguingly, both pressure and carrier doping can realize the long-sought FM half-metallic states with 100% spin polarization percentage, which is good for improving the injection and detection efficiency of spin currents among others. Moreover, the Mott transition is accompanied by instantaneous spincrossover (SCO) in CoPS 3 , and such cooperative SCO facilitates the implementation of fast-response reversible devices, such as data storage devices, optical displays and sensors. We further provide an in-depth analysis for the mechanisms of FM half-metallicity and SCO. Tunable magnetism in layered AFM materials opens vast opportunities for purposeful device design with various functionalities.

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Section: Electronic Structures Under Different Pressures and Its Tranmentioning

confidence: 99%

Section: Magnetic States Controlled By Carrier Dopingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Tunable magnetism in layered CoPS3 by pressure and carrier doping

Zhang

Zou

2020

Sci. China Mater.

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“…In contrast to the current research, which is mainly focused on the 2D graphene and transition metal dichalcogenide-like structures [10][11][12][13][14] , very few atomically thin metal oxides [15][16][17] and hydroxides 18 have been synthesized to date. Experimental study of 2D magnetic layers shows the Cr-based layers have FM state with large spin magnetic moment (≥3 μ B ) 19 .…”

Section: Introductionmentioning

confidence: 98%

Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer

et al. 2020

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In contrast to the current research on two-dimensional (2D) materials, which is mainly focused on graphene and transition metal dichalcogenide-like structures, studies on 2D transition metal oxides are rare. By using ab initio calculations along with Monte Carlo simulations and nonequilibrium Green’s function method, we demonstrate that the transition metal oxide monolayer (ML) of Cr2O3 is an ideal candidate for next-generation spintronics applications. 2D Cr2O3 has honeycomb-kagome lattice, where the Dirac and strongly correlated fermions coexist around the Fermi level. Furthermore, the spin exchange coupling constant shows strong ferromagnetic (FM) interaction between Cr atoms. Cr2O3 ML has a robust half-metallic behavior with a large spin gap of ~3.9 eV and adequate Curie temperature. Interestingly, an intrinsic Ising FM characteristic is observed with a giant perpendicular magnetocrystalline anisotropy energy of ~0.9 meV. Most remarkably, nonequilibrium Green’s function calculations reveal that the Cr2O3 ML exhibits an excellent spin filtering effect.

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“…Thus, it is important to synthesize or design the desirable 2D halfmetals with robust FM ground state under high temperature. [7,8] At present, more and more room-temperature 2D FM half-metals have been proposed in theory, such as MnNF (890 K), [13] Fe 2 Si (780 K), [14] Co 2 Se 3 (600 K), [15] CoGa 2 Se 4 (516 K) and CoGa 2 Te 4 (570 K), [16] 1T-TaN 2 (%339 K), [17] 1T-YN 2 (%332 K), [18] MnP (495 K), [19] Cr 2 C (562 K), [20] and so on.…”

Section: Introductionmentioning

confidence: 99%

MnNBr Monolayer: A High‐Temperature Ferromagnetic Half‐Metal with Type‐II Weyl Fermions

Shi

Cui

Song

et al. 2021

Physica Rapid Research Ltrs

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For spintronics, it is highly desirable to obtain stable low‐dimensional materials with ferromagnetic ground state, 100% spin polarization, and high Curie temperature. Moreover, type‐II Weyl fermions are also desired for realizing high‐speed anisotropic transport. Herein, based on first‐principles calculations, the orthorhombic MnNBr monolayer is identified as a needed ferromagnetic half‐metal, which not only has a high Curie temperature (910 K), but also holds type‐II Weyl state with Lorentz symmetry broken. Analysis of the stability reveals that the MnNBr monolayer is energetically, mechanically, dynamically, and thermally stable. Remarkably, in the vicinity of the Fermi level there exist both type‐I and titled type‐II Weyl states, whose nodes form continuously distributed Weyl loops. Under intrinsic out‐of‐plane magnetization, they are robust against spin–orbital coupling due to the protection of glide mirror symmetry. Moreover, near the type‐II Weyl point, there is direction‐dependent band dispersion: the largest fermion velocities can be found in the k path of G–X (up to 6.86 × 105 m s−1), while quasi‐flat bands with negligible band dispersion can be found along the direction being parallel to G–Y. This indicates that MnNBr monolayer should be a promising candidate for further applications of high‐speed anisotropic transport and studies of strongly correlated electronic states.

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

Cited by 79 publications

References 64 publications

Tunable magnetism in layered CoPS3 by pressure and carrier doping

Tunable magnetism in layered CoPS3 by pressure and carrier doping

Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer

MnNBr Monolayer: A High‐Temperature Ferromagnetic Half‐Metal with Type‐II Weyl Fermions

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