Magnetic modification of GaSe monolayer by absorption of single Fe atom

Lu, Yihong; Ke, Congming; Fu, Mingming; Lin, Wei; Zhang, Chunmiao; Chen, Ting; Li, Heng; Kang, Junyong; Wu, Zhiming; Wu, Yaping

doi:10.1039/c6ra27309b

Cited by 11 publications

(6 citation statements)

References 30 publications

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“…ΔE = 55. 25 meV, showing that a 2D Cr 2 Ge 2 Te 6 has a higher energy per unit cell in AFM than in the FM state, which is more stable than in the AFM state. In addition, the literature [46] reported that the magnetic properties of Cr 2 Ge 2 Te 6 are mainly derived from the local magnetic moments on the Cr atomic sites; therefore.…”

Section: Resultsmentioning

confidence: 99%

“…The adsorption of transition metal atoms on the surface of black phosphorus also effectively modulates its electronic and magnetic properties [24]. It was reported that a strong orbital coupling between GaSe monolayer and transition metals was found to produce 100% spin-polarized currents [25]. A recent study also found that monolayer Cr 2 Ge 2 Te 6 nanosheet interacted with alkali metals, enhancing their ferromagnetism and exhibiting half-metallic properties [26].…”

Section: Introductionmentioning

confidence: 99%

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Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

Kang

Wang

et al. 2023

Front. Phys.

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As one of the first experimentally found and naturally stable two-dimensional (2D) ferromagnetic materials, the monolayer Cr2Ge2Te6 has garnered great interest due to its potential hires in electronics and spintronics. Yet, the Curie temperature of monolayer Cr2Ge2Te6 is lower than the ambient temperature, severely restricting the creation of valuable devices. Using the first-principle calculations, we explored how the adsorption of 3d transition metals affects the electronic and magnetic properties of the monolayer Cr2Ge2Te6 (from Sc to Zn). Our findings indicate that depending on the 3d transition metals to be adsorbed, the electronic properties of the Cr2Ge2Te6 adsorption system may be adjusted from semiconductor to metal/half-metal. We found that the adsorption of Ti and Fe leads to a transformation from semiconductor to metal. While in Cr2Ge2Te6@Sc, V, Co, Ni, and Cu, the absorption realizes the changes from semiconductor to half metal. Moreover, adsorption may modify the magnetic moment and Curie temperature of the adsorbed system to enhance the ferromagnetic stability of the monolayer Cr2Ge2Te6. Furthermore, we are able to modulate the half-metallic of Cr2Ge2Te6@Mn by means of electric fields. Hence, adsorption is a viable method for modulating the ferromagnetic half-metallic of 2D ferromagnets, paving the door for the future development of nano-electronic and spintronic devices with enhanced performance for 2D ferromagnetic materials.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

Kang

Wang

et al. 2023

Front. Phys.

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“…Concurrently, Li et al synthesized ultrathin 2D GaSe via CVT in a tube furnace system, which showed high photoresponse and field-effect transistor (FET) characteristics [145]. The magnetic behavior of GaSe has been reported many times in theoretical studies [146][147][148][149]. The 2D unit cell of a GaSe monolayer is composed of two Ga atoms and two Se atoms.…”

Section: Gase and Gesementioning

confidence: 99%

“…Soon afterward, Lu et al systematically investigated the structural and electronic properties of Fe-adsorbed monolayer GaSe using first-principles DFT calculations. Attributed to the transfer of Fe-3d electrons, magnetic moments of −0.004 µB and −0.178 µB were induced for the nearest neighbor Ga and Se atoms, respectively, which showed antiferromagnetic coupling with the adsorbed Fe atom [147]. Similarly, Tang et al systematically studied the modulation of an electric field on the structural, electronic, and magnetic properties of a vacancy-doped GaSe monolayer using first-principles DFT calculations.…”

Section: Gase and Gesementioning

confidence: 99%

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Kong

Zhao

et al. 2022

Coatings

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Two-dimensional (2D) van der Waals (vdW) magnetic materials are considered to be ideal candidates for the fabrication of spintronic devices because of their low dimensionality, allowing the quantization of electronic states and more degrees of freedom for device modulation. With the discovery of few-layer Cr2Ge2Te6 and monolayer CrI3 ferromagnets, the magnetism of 2D vdW materials is becoming a research focus in the fields of material science and physics. In theory, taking the Heisenberg model with finite-range exchange interactions as an example, low dimensionality and ferromagnetism are in competition. In other words, it is difficult for 2D materials to maintain their magnetism. However, the introduction of anisotropy in 2D magnetic materials enables the realization of long-range ferromagnetic order in atomically layered materials, which may offer new effective means for the design of 2D ferromagnets with high Curie temperature. Herein, current advances in the field of 2D vdW magnetic crystals, as well as intrinsic and induced ferromagnetism or antiferromagnetism, physical properties, device fabrication, and potential applications, are briefly summarized and discussed.

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“…Due to the reduced structural symmetry, 2D materials are generally sensitive to external conditions, which opens up considerable possibilities for modulating the properties and designing functional nanodevices for monolayer GaGeTe [15]. Strain engineering [16], surface decoration [17], and nonequilibrium doping [18,19] are known as common control means; however, they will either bring in structural deformation or cause additional lattice damage which distinctively reduce the carrier mobility in the material. Magnetic field is a feasible method, but it is incompatible with global electronic and optoelectronic devices [20], Alternatively, external electric field can be a preferred option with great necessity and essential promise [21], achieving an all-electrical modification of the electronic and spintronic properties of monolayer GaGeTe will provide further avenues for novel electronic, optoelectronics and spintronics.…”

Section: Introductionmentioning

confidence: 99%

Modification of the electronic and spintronic properties of monolayer GaGeTe with a vertical electric field

Ke¹,

Wu²,

Zhou³

et al. 2019

J. Phys. D: Appl. Phys.

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Development of two-dimensional (2D) nanoelectronics is appealing for electrically tunable properties in 2D materials. By means of density functional theory computations, we systematically study the modulation of vertical electric field on the electronic structure and spintronic properties of monolayer GaGeTe. A transition from indirect to direct bandgap is realized with an electric field of 0.11 V Å −1 . The direct bandgap monotonously diminishes due to the giant Stark effect with a Stark coefficient of 3.68 Å. A critical electric field of 0.43 V Å −1 is predicted, at which the semiconductor-to-metal transition occurs, and the effective mass of holes is correspondingly tuned to as low as 0.16 m 0 . Electric-field-induced SOC plays an important role in the spintronic properties of monolayer GaGeTe so that a widely tunable SOC splitting from 0 to 78.3 meV is achieved, and switchable spin-polarization features are also predicted in the spin texture. The spin splitting is attributed to the Rashba effect with the Rashaba contribution coefficients tuned from 0 eVÅ to 0.15 eVÅ. As the all-electrical control method is demonstrated, the physical mechanism related to the redistribution of the electronic states is further revealed. The outstanding electronic and transport features as well as the widely controllable spintronic properties of monolayer GaGeTe hold a great promise for their applications in the field of 2D nanoelectronics and spintronics.

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Magnetic modification of GaSe monolayer by absorption of single Fe atom

Abstract: Fe adsorbed GaSe monolayers are studied systematically using density functional theory. A strong orbit coupling effect between Fe and the vicinal Ga and Se atoms results in a half-metallicity with a 100% spin polarization.

Cited by 11 publications

References 30 publications

Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Modification of the electronic and spintronic properties of monolayer GaGeTe with a vertical electric field

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