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result(s) for
"Arras, Rémi"
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Nanostructured ZnFe2O4: An Exotic Energy Material
by
Bohra, Murtaza
,
Arras, Rémi
,
Alman, Vidya
in
Cations
,
Chemical Physics
,
Computational Physics
2021
More people, more cities; the energy demand increases in consequence and much of that will rely on next-generation smart materials. Zn-ferrites (ZnFe2O4) are nonconventional ceramic materials on account of their unique properties, such as chemical and thermal stability and the reduced toxicity of Zn over other metals. Furthermore, the remarkable cation inversion behavior in nanostructured ZnFe2O4 extensively cast-off in the high-density magnetic data storage, 5G mobile communication, energy storage devices like Li-ion batteries, supercapacitors, and water splitting for hydrogen production, among others. Here, we review how aforesaid properties can be easily tuned in various ZnFe2O4 nanostructures depending on the choice, amount, and oxidation state of metal ions, the specific features of cation arrangement in the crystal lattice and the processing route used for the fabrication.
Journal Article
Aperiodic quantum oscillations in the two-dimensional electron gas at the LaAlO3/SrTiO3 interface
by
Gosteau Julien
,
Ariando
,
Rubi Km
in
Buried structures
,
Chemical potential
,
Density functional theory
2020
Despite several attempts, the intimate electronic structure of two-dimensional electron systems buried at the interface between LaAlO3 and SrTiO3 still remains to be experimentally revealed. Here, we investigate the transport properties of a high-mobility quasi-two-dimensional electron gas at this interface under high magnetic field (55 T) and provide new insights for electronic band structure by analyzing the Shubnikov-de Haas oscillations. Interestingly, the quantum oscillations are not 1∕B-periodic and produce a highly non-linear Landau plot (Landau level index versus 1/B). We explore different scenarios leading to 1/B-aperiodic oscillations where the charge and the chemical potential vary as the magnetic field increases. Overall, the magneto-transport data are discussed in light of high-resolution scanning transmission electron microscopy (HRSTEM) analysis of the interface as well as calculations from density functional theory.
Journal Article
Nonzero Berry phase in quantum oscillations from giant Rashba-type spin splitting in LaTiO3/SrTiO3 heterostructures
2018
The manipulation of the spin degrees of freedom in a solid has been of fundamental and technological interest recently for developing high-speed, low-power computational devices. There has been much work focused on developing highly spin-polarized materials and understanding their behavior when incorporated into so-called spintronic devices. These devices usually require spin splitting with magnetic fields. However, there is another promising strategy to achieve spin splitting using spatial symmetry breaking without the use of a magnetic field, known as Rashba-type splitting. Here we report evidence for a giant Rashba-type splitting at the interface of LaTiO
3
and SrTiO
3
. Analysis of the magnetotransport reveals anisotropic magnetoresistance, weak anti-localization and quantum oscillation behavior consistent with a large Rashba-type splitting. It is surprising to find a large Rashba-type splitting in 3
d
transition metal oxide-based systems such as the LaTiO
3
/SrTiO
3
interface, but it is promising for the development of a new kind of oxide-based spintronics.
Rashba-type splitting is an effective way to manipulate the spin degrees of freedom in a solid without external magnetic field. Here, the authors demonstrate a strong Rashba-type splitting at the interface of LaTiO
3
and SrTiO
3
which is promising for the development of oxide-based spintronics.
Journal Article
An ab initio study of the effects of vacancies on the static and dynamic magnetic properties of Co2MnSi
by
Calmels, L.
,
Arras, R.
,
Pradines, B.
in
Coherent potential approximation
,
Condensed Matter
,
Electronic structure
2017
The full-Heusler alloy Co2MnSi is a promising highly spin-polarized magnetic metal for spintronic applications. However, significant differences have been reported between the computed properties of the ideal material and the properties of real samples measured in experiments. In this paper, we study the influence of atom vacancies on the electronic structure and on the magnetic properties of Co2MnSi, as these defects could explain the disagreement between the expected and measured behavior of this alloy. The effects of atom vacancies have been calculated from first principles, using the fully relativistic Korringa-Kohn-Rostoker (KKR) method in conjunction with the coherent potential approximation (CPA) and the linear response formalism.
Journal Article
Charge transfer and magnetization of a MoS 2 monolayer at the Co(0001)/MoS 2 interface
2017
The Co/MoS2 system may constitute a fundamental building block for future spintronic devices based on a single MoS2 transition metal dichalcogenide monolayer. Here, the hcp Co(0001)/MoS2 interface electronic structure as well as magnetic properties are investigated by first principles calculations based on the density functional theory. The charge transfer due to covalent bonding between S and Co atoms at the interface has been calculated for the lowest energy configuration obtained after optimization of the atomic coordinates. This charge transfer is different for majority and minority spin electrons, which induces a magnetization of the MoS2 layer bellow the Cobalt contact. The connection between the charge transfers at the interface and the modification of the magnetic properties is discussed.
Journal Article
Spin and Orbital Rashba effects at the Ni/HfO\\(_2\\) interface
by
Manchon, Aurélien
,
Arras, Rémi
,
Pezo, Armando
in
Anisotropy
,
Charge efficiency
,
Electric polarization
2024
We predict the giant ferroelectric control of interfacial properties of Ni/HfO2, namely, (i) the magnetocrystalline anisotropy and (ii) the inverse spin and orbital Rashba effects. The reversible control of magnetic properties using electric gating is a promising route to low-energy consumption magnetic devices, including memories and logic gates. Synthetic multiferroics, composed of a ferroelectric in proximity to a magnet, stand out as a promising platform for such devices. Using a combination of \\(ab\\) \\(initio\\) simulations and transport calculations, we demonstrate that reversing the electric polarization modulates the interface magnetocrystalline anisotropy from in-plane to out-of-plane. This modulation compares favorably with recent reports obtained upon electromigration induced by ionic gating. In addition, we find that the current-driven spin and orbital densities at the interface can be modulated by about 50% and 30%, respectively. This giant modulation of the spin-charge and orbit-charge conversion efficiencies opens appealing avenues for voltage-controlled spin- and orbitronics devices.
A new skyrmion topological transition driven by higher-order exchange interactions in Janus MnSeTe
by
Arya, Megha
,
Haldar, Soumyajyoti
,
Heinze, Stefan
in
Collapse
,
First principles
,
Hypothetical particles
2025
Two-dimensional (2D) van der Waals magnets offer a promising platform for pushing skyrmion technology to the single-layer limit with high tunability. While Dzyaloshinskii-Moriya interaction (DMI) is often recognized as central to skyrmion formation, their stability, collapse, and topological transition in 2D materials remain largely unexplored. In particular, the effect of higher-order exchange interactions (HOI) on these phenomena is unknown. Here, using first-principles calculations and atomistic spin simulations, we report a new topological transition generated by HOI, which we term 'ferric transition', in single-layer MnSeTe. Surprisingly, skyrmion stability and collapse remain largely unaffected by HOI due to the dominant role of DMI near the saddle point, whereas the Bloch point is strongly modified, giving rise to this novel transition. This mechanism is fundamentally distinct from the well-known radial and chimera transitions. Moreover, we predict that Janus MnSeTe exhibits remarkably high skyrmion energy barriers due to its strong DMI, among the highest reported for intrinsic 2D magnets. Our findings unveil an unexpected role of HOI in skyrmion topological transitions and establish Janus MnSeTe as a robust platform for 2D skyrmionics.
Aperiodic quantum oscillations in the two-dimensional electron gas at the LaAlO3/SrTiO3 interface
by
Rubi, Km
,
Serra, Raphaël
,
Ariando
in
Buried structures
,
Density functional theory
,
Electron gas
2019
Despite several attempts, the intimate electronic structure of two-dimensional electron systems buried at the interface between LaAlO3 and SrTiO3 still remains to be experimentally revealed. Here, we investigate the transport properties of a high-mobility quasi-two-dimensional electron gas at this interface under high magnetic field (55 T) and provide new insights for electronic band structure by analyzing the Shubnikov-de Haas oscillations. Interestingly, the quantum oscillations are not 1/B-periodic and produce a highly non-linear Landau plot (Landau level index versus 1/B). Among possible scenarios, the Roth-Gao-Niu equation provides a natural explanation for 1/B-aperiodic oscillations in relation with the magnetic response functions of the system. Overall, the magneto-transport data are discussed in light of high-resolution scanning transmission electron microscopy analysis of the interface as well as calculations from density functional theory.
Electronic structure of the Co(0001)/MoS2 interface, and its possible use for electrical spin injection in a single MoS2 layer
by
Arras, Rémi
,
Renucci, Pierre
,
Garandel, Thomas
in
Charge transfer
,
Density functional theory
,
Electric contacts
2018
The ability to perform efficient electrical spin injection from ferromagnetic metals into two-dimensional semiconductor crystals based on transition metal dichalcogenide monolayers is a prerequisite for spintronic and valleytronic devices using these materials. Here, the hcp Co(0001)/MoS2 interface electronic structure is investigated by first-principles calculations based on the density functional theory. In the lowest energy configuration of the hybrid system after optimization of the atomic coordinates, we show that interface sulfur atoms are covalently bound to one, two or three cobalt atoms. A decrease of the Co atom spin magnetic moment is observed at the interface, together with a small magnetization of S atoms. Mo atoms also hold small magnetic moments which can take positive as well as negative values. The charge transfers due to covalent bonding between S and Co atoms at the interface have been calculated for majority and minority spin electrons and the connections between these interface charge transfers and the induced magnetic properties of the MoS2 layer are discussed. Band structure and density of states of the hybrid system are calculated for minority and majority spin electrons, taking into account spin-orbit coupling. We demonstrate that MoS2 bound to the Co contact becomes metallic due to hybridization between Co d and S p orbitals. For this metallic phase of MoS2, a spin polarization at the Fermi level of 16 % in absolute value is calculated, that could allow spin injection into the semiconducting MoS2 monolayer channel. Finally, the symmetry of the majority and minority spin electron wave functions at the Fermi level in the Co-bound metallic phase of MoS2 and the orientation of the border between the metallic and semiconducting phases of MoS2 are investigated, and their impact on spin injection into the MoS2 channel is discussed.
Large perpendicular magnetic anisotropy in Ta/CoFeB/MgO on full coverage monolayer MoS2 and first principle study of its electronic structure
by
Pigeat, Philippe
,
Cedric, Robert
,
George, Jean-Marie
in
Anisotropy
,
Curie temperature
,
Diffusion
2021
Perpendicularly magnetized spin injector with high Curie temperature is a prerequisite for developing spin optoelectronic devices on 2D materials working at room temperature (RT) with zero applied magnetic field. Here, we report the growth of Ta/CoFeB/MgO structures with a large perpendicular magnetic anisotropy (PMA) on full coverage monolayer (ML) MoS2. A large perpendicular interface anisotropy energy of 0.975mJ/m2 has been obtained at the CoFeB/MgO interface, comparable to that observed in magnetic tunnel junction systems. It is found that the insertion of MgO between the ferromagnetic metal (FM) and the 2D material can effectively prevent the diffusion of the FM atoms into the 2D material. Moreover, the MoS2 ML favors a MgO(001) texture and plays a critical role to establish the large PMA. First principle calculations on a similar Fe/MgO/MoS2 structure reveal that the MgO thickness can modify the MoS2 band structure, from an indirect bandgap with 7ML-MgO to a direct bandgap with 3ML-MgO. Proximity effect induced by Fe results in a splitting of 10meV in the valence band at the point for the 3ML-MgO structure while it is negligible for the 7ML-MgO structure. These results pave the way to develop RT spin optoelectronic devices on 2D transition-metal dichalcogenide materials.