Electric-field tuning of the magnetic properties of bilayer 
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: A first-principles study

Nguyen, Thi Phuong Thao; Yamauchi, Kunihiko; Oguchi, Tamio; Amoroso, Danila; Picozzi, Silvia

doi:10.1103/physrevb.104.014414

Cited by 19 publications

(14 citation statements)

References 41 publications

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“…On the other hand, the solution with the quenched OM (Figure b) shows for the spin-up a complete occupation of and states whereas the orbital states are above the Fermi level. This solution was found previously using the VASP code with a smaller Hubbard U = 2 eV …”

supporting

confidence: 77%

“…This scenario was further supported by neutron diffraction experiment done by Hao et al, which found a magnetic moment of 1.2 μ B /V at 6 K. Electronic structure calculations have found a ground state where the orbital is half occupied leading to an unquenched OM. , Strong correlations represented by Hubbard U are sufficient to open a gap between SO split bands so that this solution is semiconducting. On the other hand, another calculation suggests different semiconducting ground state with fully occupied orbitals, which leads to a negligible orbital moment. Direct evidence and quantification of an unquenched OM is still lacking.…”

mentioning

confidence: 67%

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Large Orbital Magnetic Moment in VI₃

et al. 2023

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The existence of the V3+-ion orbital moment is an open issue of the nature of magnetism in the van der Waals ferromagnet VI3. The huge magnetocrystalline anisotropy in conjunction with the significantly reduced ordered magnetic moment compared to the spin-only value provides strong but indirect evidence of a large V orbital moment. We used the unique capability of X-ray magnetic circular dichroism to determine the orbital component of the total magnetic moment and provide a direct proof of an exceptionally sizable orbital moment of the V3+ ion in VI3. Our ligand field multiplet simulations of the XMCD spectra in synergy with the results of DFT calculations agree with the existence of two V sites with different orbital occupations and OM magnitudes in the ground state.

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supporting

confidence: 77%

mentioning

confidence: 67%

Large Orbital Magnetic Moment in VI₃

et al. 2023

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“…1c). Similar cases have been reported in VS 2 42 , VI 3 43 , VOCl 44 , TiOCl 41 , etc. In VI 3 (V 3+ with d 2 electronic configuration), the Hubbard U value shifts up (down) the unoccupied (occupied) orbital levels producing a semiconducting character 43 .…”

Section: Structure and Magnetic Properties Of Vsef Monolayersupporting

confidence: 86%

Nonvolatile electrical control of spin polarization in the 2D bipolar magnetic semiconductor VSeF

Deng

Zhang

et al. 2023

npj Comput Mater

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Nonvolatile electrical control of spin polarization in two-dimensional (2D) magnetic semiconductors is greatly appealing toward future low-dissipation spintronic nanodevices. Here, we report a 2D material VSeF, which is an intrinsic bipolar magnetic semiconductor (BMS) featured with opposite spin-polarized valence and conduction band edges. We then propose a general nonvolatile strategy to manipulate both spin-polarized orientations in BMS materials by introducing a ferroelectric gate with proper band alignment. The spin-up/spin-down polarization of VSeF is successfully controlled by the electric dipole of ferroelectric bilayer Al2Se3, verifying the feasibility of the design strategy. The interfacial doping effect from ferroelectric gate also plays a role in enhancing the Curie temperature of the VSeF layer. Two types of spin field effect transistors, namely multiferroic memory and spin filter, are further achieved in VSeF/Al2Se3 and VSeF/Al2Se3/Al2Se3 multiferroic heterostructures, respectively. This work will stimulate the application of 2D BMS materials in future spintronic nanodevices.

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“…This is however somewhat surprising considering that V is in a octahedral environment and the orbital contributions can usually be neglected. In fact, the situation regarding the angular orbital momentum of V 3+ in VI 3 has been under a debate [34,35]. With that said, our results represents clear experimental proof of unquenched orbital angular momentum of V 3+ in VI 3 .…”

Section: Discussionsupporting

confidence: 63%

Refined magnetic structure of VI$_3$

Forslund¹,

Ge²,

Ohta³

et al. 2022

Preprint

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The van der Waals ferromagnet (FM), VI3, was studied by muon spin relaxation (µ + SR) and first principle calculations based on density functional theory (DFT). Temperature dependent zero field muon spin relaxation (µ + SR) measurements confirm the onset of long range FM order and the time spectra exhibits clear muon spin precession frequencies for T < TC = 50.03(1) K. The calculated internal magnetic fields at the predicted muon sites, based on the established magnetic structure from neutron diffraction, is inconsistent with the measured one. This inconsistency is because of strong incoherent neutron scattering and absorption originating from the elements V and I. Instead, a new and a more accurate magnetic structure is derived based on a combined study using µ + SR and DFT. These results suggest strong contritions from orbital angular momentum, providing experimental evidence for the existence of unquenched orbital angular momentum of V 3+ in VI3. Finally, an unusual form of a short range ordering is present above TC. Its temperature dependence is unlike previously reported cases in other layered compounds and its microscopic origin is discussed.

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Electric-field tuning of the magnetic properties of bilayer VI3 : A first-principles study

Cited by 19 publications

References 41 publications

Large Orbital Magnetic Moment in VI₃

Large Orbital Magnetic Moment in VI₃

Nonvolatile electrical control of spin polarization in the 2D bipolar magnetic semiconductor VSeF

Refined magnetic structure of VI$_3$

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Electric-field tuning of the magnetic properties of bilayer VI3 : A first-principles study

Cited by 19 publications

References 41 publications

Large Orbital Magnetic Moment in VI3

Large Orbital Magnetic Moment in VI3

Nonvolatile electrical control of spin polarization in the 2D bipolar magnetic semiconductor VSeF

Refined magnetic structure of VI$_3$

Contact Info

Product

Resources

About

Large Orbital Magnetic Moment in VI₃

Large Orbital Magnetic Moment in VI₃