High Curie temperature and carrier mobility of novel Fe, Co and Ni carbide MXenes

Hu, Yan; Liu, Xin-Yi; Shen, Zihan; Luo, Zhifen; Chen, Zhiguo; Fan, Xiaoli

doi:10.1039/c9nr10927g

Cited by 30 publications

(25 citation statements)

References 87 publications

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“…Our estimated T c of CrI 3 monolayer is 42 K (Additional file 1: Fig. S4) [76], agreeing well with the experimental measured value [2] and previous calculation results [15,58,71,72,74,76], which proves the accuracy of our adopted method. The spin-Hamiltonian including the nearest neighboring (NN) magnetic interaction is described as where J is the NN magnetic exchange parameter, M i/j is the magnetic moment of Mn ions and integral close to the number of the spin polarized electrons based on Monte Carlo method [71,77,78], i and j stand for the NN pair of Mn ions.…”

Section: Cleavage Energy Ground State and Stability Of The Mnbr 2 Monolayersupporting

confidence: 89%

“…Additionally, the MAE of Mn 3 Br 8 monolayer is much larger than that of MnBr 2 monolayer, proving again the effectiveness of our design. We further calculated the T c for FM Mn 3 Br 8 monolayer by performing the Monte Carlo (MC) simulations based on the Heisenberg model, which has been proven to be the effective method for predicting T c for 2D materials [11,15,48,58,[71][72][73][74][75][76]. Our estimated T c of CrI 3 monolayer is 42 K (Additional file 1: Fig.…”

Section: Cleavage Energy Ground State and Stability Of The Mnbr 2 Monolayermentioning

confidence: 99%

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Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Jin

Luo

et al. 2021

Nanoscale Res Lett

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A pressing need in low energy spintronics is two-dimensional (2D) ferromagnets with Curie temperature above the liquid-nitrogen temperature (77 K), and sizeable magnetic anisotropy. We studied Mn3Br8 monolayer which is obtained via inducing Mn vacancy at 1/4 population in MnBr2 monolayer. Such defective configuration is designed to change the coordination structure of the Mn-d5 and achieve ferromagnetism with sizeable magnetic anisotropy energy (MAE). Our calculations show that Mn3Br8 monolayer is a ferromagnetic (FM) half-metal with Curie temperature of 130 K, large MAE of − 2.33 meV per formula unit, and atomic magnetic moment of 13/3μB for the Mn atom. Additionally, Mn3Br8 monolayer maintains to be FM under small biaxial strain, whose Curie temperature under 5% compressive strain is 160 K. Additionally, both biaxial strain and carrier doping make the MAE increases, which mainly contributed by the magneto-crystalline anisotropy energy (MCE). Our designed defective structure of MnBr2 monolayer provides a simple but effective way to achieve ferromagnetism with large MAE in 2D materials.

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Section: Cleavage Energy Ground State and Stability Of The Mnbr 2 Monolayersupporting

confidence: 89%

Section: Cleavage Energy Ground State and Stability Of The Mnbr 2 Monolayermentioning

confidence: 99%

Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Jin

Luo

et al. 2021

Nanoscale Res Lett

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“…4(a)), much larger than those of bulk Fe (0.001meV per atom), and Ni (0.003meV per atom) [64], and larger than that of the Fe monolayer on Rh (111) (0.08meV per atom) [65], suggesting the thermal stability of the magnetization of the Mn3Br8 monolayer. The relationship between the MCE and the azimuthal angle can be described by the following equation [66]: We further calculated the C T for FM Mn3Br8 monolayer by performing the Monte Carlo (MC) simulations based on the Heisenberg model, which has been proven to be the effective method for predicting C T for 2D materials [11,15,48,59,[67][68][69][70][71][72]. Our estimated C T of CrI3 monolayer is 42K [72], agreeing well with the experimental measured value [2] and previous calculation results [15,59,67,68,70,72], which proves the accuracy of our adopted method.…”

Section: Cleavage Energy Ground State and Stability Of The Mnbr 2 Mmentioning

confidence: 99%

Conversation from anti-ferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Jin

Luo

et al. 2021

Preprint

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A pressing need in low energy spintronics is two-dimensional (2D) ferromagnets with Curie temperature above the liquid-Nitrogen temperature (77K), sizeable magnetic anisotropy. We studied Mn3Br8 monolayer which is obtained via inducing Mn vacancy at 1/4 population in MnBr2 monolayer. Such defective configuration is designed to change the coordination structure of the Mn-d5, to achieve ferromagnetism with sizeable magnetic anisotropy energy (MAE). Our calculations show that Mn3Br8 monolayer is a ferromagnetic (FM) half-metal and has Curie temperature of 130K, large MAE of -2.33 meV per formula unit, atomic magnetic moment of 13/3µB. Additionally, Mn3Br8 monolayer maintains to be FM under small biaxial strain, whose Curie temperature under 5% compressive strain is 160K. Additionally, both biaxial strain and carrier doping make the MAE increase, which mainly contributed by the magneto-crystalline anisotropy energy (MCE). Our designed defective structure of MnBr2 monolayer provides a simple but effective way to achieve ferromagnetism with large MAE in 2D materials.

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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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High Curie temperature and carrier mobility of novel Fe, Co and Ni carbide MXenes

Abstract: MXenes have intrinsic and robust ferromagnetism well above room temperature as well as high and anisotropic carrier mobility.

Cited by 30 publications

References 87 publications

Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Conversation from anti-ferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

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

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High Curie temperature and carrier mobility of novel Fe, Co and Ni carbide MXenes

Abstract: MXenes have intrinsic and robust ferromagnetism well above room temperature as well as high and anisotropic carrier mobility.

Cited by 30 publications

References 87 publications

Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE

Conversation from anti-ferromagnetic Mn­Br2 to ferromagnetic Mn­3Br8 monolayer with large MAE

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

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Conversation from anti-ferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE