Origin of the large voltage-controlled magnetic anisotropy in a Cr/Fe/MgO junction with an ultrathin Fe layer: First-principles investigation

Chen, W. Z.; Jiang, Lixian; Yan, Zhi; Zhu, Yu; Wan, Caihua; Han, X. F.

doi:10.1103/physrevb.101.144434

Cited by 16 publications

(13 citation statements)

References 49 publications

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“…In both structures, Fe 1 and Fe 2 provide the main contribution to their perpendicular MA. This agrees with the previous theoretical investigation [36,58,59]. Furthermore, we can clearly see that the main origin of the enhanced MCAE in structure-II comes from Fe 1 (see Figure 3).…”

Section: Alloying Effect Of Magnetic Anisotropysupporting

confidence: 93%

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

et al. 2020

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Voltage control of magnetic anisotropy (VCMA) is one of the promising approaches for magnetoelectric control of magnetic tunnel junction (MTJ). Here, we systematically calculated the magnetic anisotropy (MA) and the VCMA energies in the well-known MTJ structure consisting of Fe/MgO interface with Cr buffer layer. In this calculation, we investigated an alloying between Fe and Cr and a strain effect. We used a spin density functional approach which includes both contributions from magnetocrystalline anisotropy energy (MCAE) originating from spin–orbit coupling and shape magnetic anisotropy energy from spin dipole–dipole interaction. In the present approach, the MCAE part, in addition to a common scheme of total energy, was evaluated using a grand canonical force theorem scheme. In the latter scheme, atom-resolved and k-resolved analyses for MA and VCMA can be performed. At first, we found that, as the alloying is introduced, the perpendicular MCAE increases by a factor of two. Next, as the strain is introduced, we found that the MCAE increases with increasing compressive strain with the maximum value of 2.2 mJ/m2. For the VCMA coefficient, as the compressive strain increases, the sign becomes negative and the absolute value becomes enhanced to the number of 170 fJ/Vm. By using the atom-resolved and k-resolved analyses, we clarified that these enhancements of MCAE and VCMA mainly originates from the Fe interface with MgO (Fe1) and are located at certain lines in the two dimensional Brillouin zone. The findings on MCAE and VCMA are fully explained by the spin-orbit couplings between the certain d-orbital states in the second-order perturbation theory.

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Section: Alloying Effect Of Magnetic Anisotropysupporting

confidence: 93%

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

et al. 2020

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“…Here, E MCA is determined by the total energy change as the magnetization rotates from in-plane to out-of-plane direction with respect to ML-CGT layer; that is E MCA = E SOC‖ − E SOC⊥ .where L and S are the orbital and spin angular momentum, respectively, and V ( r ) is the spherical part of the effective potential within the PAW sphere. 62 According to second-order perturbation theory, 63 the MCA can be further expressed as: 64,65 Δ E −− = E −− ( x ) − E −− ( z )Δ E ± = E ± ( x ) − E ± ( z )where ξ is the SOC constant, u and o are the energy levels of the unoccupied states and the occupied states, + and − are majority- and minority-spin states, respectively. Table 1 lists the corresponding matrix element differences for Te-p orbitals, (including |〈o − | L̂ z |u − 〉| 2 − |〈o − | L̂ x |u − 〉| 2 and |〈o + | L̂ z |u − 〉| 2 − |〈o + | L̂ x |u − 〉| 2 ), while the corresponding matrix element differences of Cr-d orbital are illustrated in Table SII †.…”

Section: Resultsmentioning

confidence: 99%

Magnetic anisotropy and ferroelectric-driven magnetic phase transition in monolayer Cr₂Ge₂Te₆

Liu

Dong

et al. 2022

Nanoscale

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“…At the same time, the energy consumed by switching the magnetization should be minimized in operating the spin bits for information processing. This requires a tunable MA to assist spins manipulation [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Role of exchange splitting and ligand-field splitting in tuning the magnetic anisotropy of an individual iridium atom on TaS2 substrate

et al. 2021

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In this work, using first-principle calculation we investigate the magnetic anisotropy (MA) of single-atom iridium (Ir) on TaS 2 substrate. We find that the strength and direction of MA in the Ir adatom can be tuned by strain. The MA arises from two sources, namely spin-conservation term and spin-flip term. The spin-conservation term is generated by spin-orbit coupling (SOC) interaction on d xy /d x2-y2 orbitals and is contributed to the out-of-plane MA. The spin-flip term is caused by SOC interaction on d xz /d yz and p x /p y orbitals and is responsible for the in-plane MA. We further find that strain-tuned MA is mainly determined by exchange splitting and ligand field splitting. Increase of strain will enhance the exchange splitting and reduce the ligand field splitting, resulting in the enhancement of the in-plane MA from d xy /d x2-y2 orbitals and the reduction of the out-of-plane MA from d xz /d yz and p x /p y orbitals, and hence leading to the change of the strength and direction of the total MA. Our study provides a way for tuning the MA of single-atoms magnet on 2D transition metal dichalcogenides substrate by control of the exchange splitting and the ligand field splitting.

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Origin of the large voltage-controlled magnetic anisotropy in a Cr/Fe/MgO junction with an ultrathin Fe layer: First-principles investigation

Cited by 16 publications

References 49 publications

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

Magnetic anisotropy and ferroelectric-driven magnetic phase transition in monolayer Cr₂Ge₂Te₆

Role of exchange splitting and ligand-field splitting in tuning the magnetic anisotropy of an individual iridium atom on TaS2 substrate

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Origin of the large voltage-controlled magnetic anisotropy in a Cr/Fe/MgO junction with an ultrathin Fe layer: First-principles investigation

Cited by 16 publications

References 49 publications

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles

Magnetic anisotropy and ferroelectric-driven magnetic phase transition in monolayer Cr2Ge2Te6

Role of exchange splitting and ligand-field splitting in tuning the magnetic anisotropy of an individual iridium atom on TaS2 substrate

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Magnetic anisotropy and ferroelectric-driven magnetic phase transition in monolayer Cr₂Ge₂Te₆