Nonvolatile electrical control of 2D Cr2Ge2Te6 and intrinsic half metallicity in multiferroic hetero-structures

Ilyas, Asif; Xiang, Shuling; Chen, Miaogen; Khan, Muhammad Yar; Bai, Hua; He, Pimo; Lu, Yunhao; Deng, Renren

doi:10.1039/d0nr06054b

Cited by 13 publications

(11 citation statements)

References 45 publications

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“…Compared with CGT/SCO P↑, the huge amount of charge transfer of CGT/SCO P↓ in charge differential density is occurred. [ 64 ] The charge accumulation across the CuBiP 2 Se 6 monolayer, while the charge depletion across the Mn 2 CFCl monolayer. Interlayer electron transfer in P↓ state of 0.00 107 and −0.00 145 e Å −1 is more than that in P↑ state of 0.00 014 and −0.00 022 e Å −1 .…”

Section: Resultsmentioning

confidence: 99%

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Wang

2021

Advcd Theory and Sims

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2D van der Waals (vdW) multiferroic heterostructures have potential applications in novel 2D spintronic devices. Here, the electronic structure and magnetic anisotropy of 2D vdW multiferroic Mn2CFCl/CuBiP2Se6 heterostructures are investigated systematically by first‐principles calculations. Ferroelectric material CuBiP2Se6 has a built‐in electric field. Mn2CFCl is a half‐metallicity with ferromagnetic. The plane average potential difference of Mn2CFCl/CuBiP2Se6 heterostructures is 0.02 eV in P↓ state and 0.39 eV in P↑ state. The magnetic anisotropy of P↑ and P↓ states is shown perpendicular magnetic anisotropy (PMA). The P↑ state exhibits metallic character with the biaxial strain of 4%, −6%, while the P↓ state demonstrates half‐metallicity at a strain of 2%, 4%, 6%. The P↑ state shows PMA at the different biaxial strain. However, the P↓ state shows PMA at biaxial strain of −2%, −4%, and 6%, which shifts PMA to in‐plane magnetic anisotropy at −6%, 2%, and 4%. These tunable electronic structure and magnetic anisotropy suggest that the 2D multiferroic Mn2CFCl/CuBiP2Se6 vdW heterostructures have potential applications in spintronic devices.

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Section: Resultsmentioning

confidence: 99%

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Wang

2021

Advcd Theory and Sims

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“…Most 2D materials are nonmagnetic materials, , as long-range magnetic order is prohibited by the strong fluctuations at finite temperature in 2D materials . Recently, 2D van der Waals (vdW) magnetic materials, , such as CrI 3 (MI 3 ), − Fe 3 GeTe 2 , , VS(Se) 2 , − VSeTe, , and CGT, − have attracted much attention. Interlayer magnetic coupling has been confirmed to play an important role in modulating the magnetoelectric properties of magnetic vdW materials.…”

Section: Introductionmentioning

confidence: 99%

Tailing the Magnetoelectric Properties of Cr₂Ge₂Te₆ by Engineering Covalently Bonded Cr Self-Intercalation: Ferromagnetic Half-Metal

Guan

et al. 2023

ACS Appl. Electron. Mater.

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Two-dimensional intrinsic ferromagnetic half-metals (HMs) are important for spintronics. Based on a systematic research of CrGeTe 3 (CGT) bilayers and multilayers with the self-intercalated (SI) Cr (Cr SI ) atom, we find that self-intercalation can enhance interlayer magnetic coupling, which results in a super-exchange interaction between interlayers. The CGT bilayer keeps halfmetallicity with the interlayer ferromagnetic (FM) order after Cr's selfintercalation, independent of Cr SI atoms' concentration and stacking orders. Moreover, SI-CGT multilayers with interlayer FM order transform from HMs into normal spin-polarized metals, as the states at the Fermi level increase. Moreover, the magnetic anisotropy energies (MAEs) of SI-CGT-AA and SI-CGT-AB are −0.160 and −0.42 meV/f.u., respectively, which are modulated by the Cr SI atoms. The MAEs of SI-CGT-AA and SI-CGT-AB are different, as the hybridization interactions between Cr's d orbitals are different from each other. SI-CGT bilayers' magnetic easy axis (EA) switches from the original [001] of CGT to the [100] direction, independent of the stacking orders. It is inferred that the MAE is mainly contributed by the hybridization between Te's p x and p y , p y and p z orbitals, and that this hybridization interaction is obviously weakened as Cr SI atom is inserted. The SI-CGT bilayers and multilayers show good dynamic and thermal stability at 300 and 500 K. These findings offer a promising way to manipulate the interlayer exchange interaction and magnetoelectric properties of CGT multilayers and other vdW magnets.

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“…It is found that electric polarization in 2D ferroelectric materials can be utilized to control the magnetic order in 2D ferromagnetic materials − despite the fact that they are coupled weakly. Moreover, a semiconductor–half metal transition can also be achieved by electric polarization reversal in such systems, for example, FeI 2 /In 2 Se 3 , Sc 2 CO 2 /bilayer CrI 3 , and Sc 2 CO 2 /Cr 2 Ge 2 Te 6 , showing great application potential in devices. However, the device setup, especially the effect of electrodes, has remained unclear in previous studies.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Studies of the Tunneling Properties through Ferroelectric/Ferromagnetic van der Waals Heterostructures

et al. 2021

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Two-dimensional (2D) ferroelectric/ferromagnetic van der Waals heterostructures (vdWHs) possess more than one ferric order and coupling effect, showing great application potential in information-processing devices. In the present work, we construct a graphene/In2Se3/CrI3/graphene vdWH to investigate its electronic and tunneling transport properties using first-principles calculations and the nonequilibrium Green function–density functional theory method. Two states are obtained in the vdWH, and they can be switched by the reversal of the polarization in the In2Se3 layer. One state shows nearly 100% spin-polarization around the Fermi level and another state with the opposite polarization direction shows no spin-polarization. Furthermore, in the transport property calculations, near-hole-conducting properties in one state and near-electron-conducting properties in another state are discovered, and they can be converted to each other with the polarization in In2Se3 reversed. Our results provide a new route to build an electric device in the nanoscale and to explore new potential applications of vdWHs.

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Nonvolatile electrical control of 2D Cr₂Ge₂Te₆ and intrinsic half metallicity in multiferroic hetero-structures

Abstract: The electrical control of two-dimensional (2D) van der Waals ferromagnets is a step forward for the realization of spintronic devices.

Cited by 13 publications

References 45 publications

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Tailing the Magnetoelectric Properties of Cr₂Ge₂Te₆ by Engineering Covalently Bonded Cr Self-Intercalation: Ferromagnetic Half-Metal

First-Principles Studies of the Tunneling Properties through Ferroelectric/Ferromagnetic van der Waals Heterostructures

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Nonvolatile electrical control of 2D Cr2Ge2Te6 and intrinsic half metallicity in multiferroic hetero-structures

Abstract: The electrical control of two-dimensional (2D) van der Waals ferromagnets is a step forward for the realization of spintronic devices.

Cited by 13 publications

References 45 publications

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn2CFCl/CuBiP2Se6 Van Der Waals Multiferroic Heterostructures

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn2CFCl/CuBiP2Se6 Van Der Waals Multiferroic Heterostructures

Tailing the Magnetoelectric Properties of Cr2Ge2Te6 by Engineering Covalently Bonded Cr Self-Intercalation: Ferromagnetic Half-Metal

First-Principles Studies of the Tunneling Properties through Ferroelectric/Ferromagnetic van der Waals Heterostructures

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Resources

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Nonvolatile electrical control of 2D Cr₂Ge₂Te₆ and intrinsic half metallicity in multiferroic hetero-structures

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS Mn₂CFCl/CuBiP₂Se₆ Van Der Waals Multiferroic Heterostructures

Tailing the Magnetoelectric Properties of Cr₂Ge₂Te₆ by Engineering Covalently Bonded Cr Self-Intercalation: Ferromagnetic Half-Metal