Free-Carrier-Induced Ferroelectricity in Layered Perovskites

Li, Shutong; Birol, Turan

doi:10.1103/physrevlett.127.087601

Cited by 27 publications

(16 citation statements)

References 77 publications

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“…It exhibits P ∼ 14 µC/cm 2 which agrees with the previous reports [39]. We indroduced excess carriers in the system by changing the number of valence electrons and adding a homogeneous background charge to keep the system neutral, like in previous studies [55,56]. Optimizing both doped P 6 3 cm and P 3c1 structures, we observed that, LuFeO 3 at the x = 1 3 electrons (e − ) per Fe doping level clearly shows the formation two distinct type of Fe ions (see Fig.…”

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confidence: 90%

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Coupling between improper ferroelectricity and ferrimagnetism in hexagonal ferrites

Das¹

2022

Preprint

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Antisymmetric Dzyaloshinskii-Moriya (DM) interactions generating from the spin-orbit coupling induce various fascinating properties, like magnetoelectric (ME) effect, weak ferromagnetism and non-trivial topological spin textures like skyrmions, in real materials. Compared to their symmetric isotropic exchange counterpart, these interactions are generally of a weaker order of strength, creating modest twisting in the spin structure which results in weak ferromagntism or weak linear ME effect. Our proposed two-sublattice model, in contrast, predicts a hitherto unobserved, charge ordered non-collinear ferrimagnetic behavior with a considerably high magnetization M coexisting with a ferroelectric (FE) order with an electric polarization P and a strong cross coupling between them which is primarily driven by the inter-sublattice DM interactions. The key to realize these effects is the coupling between these microscopic interactions and the FE primary order parameter. We predict microscopic mechanisms to achieve electric field E induced spin-reorientation transitions and 180 • switching of the direction of M. This model was realized in the hexagonal phase of LuFeO3 doped with electrons. This system shows P ∼ 15 µC/cm 2 , M ∼ 1.3 µB/Fe and magnetic transition near room temperature (∼ 290 K). Our theoretical results are expected to stimulate further quest for energy-efficient routes to control magnetism for spintronics applications.

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confidence: 90%

“…In the present study, the effect of excess carrier was simulated by changing the number of electrons in the calculation and adding a homogeneous background charge to keep the system neutral [55,56]. We optimized the structures considering various magnetic orders.…”

Section: [3+3+] Xymentioning

confidence: 99%

Coupling between improper ferroelectricity and ferrimagnetism in hexagonal ferrites

Das¹

2022

Preprint

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“…[64] was used in all calculations. While the added electrons can change bonding and effective ionic radii, and hence change the crystal structure [32,65], this effect is not expected to be significant at the small concentrations considered at this work, and hence is ignored. The lattice constant for Ni(S 0.75 Se 0.25 ) 2 was linearly interpolated between endpoints NiS 2 and NiSe 2 and the atomic positions were determined by relaxation in Wien2K (at the DFT level).…”

Section: Methodsmentioning

confidence: 99%

Gating-Induced Mott Transition in NiS$_2$

Day-Roberts¹,

Fernandes²,

Birol³

2022

Preprint

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NiS2 has been widely regarded as a model system to study the bandwidth-controlled Mott transition, as enabled by isovalent Se chemical substitution on the S sites. Motivated by advances in electrolyte gating, we theoretically investigate the filling-controlled Mott transition induced by gating, which has the advantage of avoiding dopant disorder and stoichiometric changes. We use combined Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) to study such a filling-controlled transition and compare it with the case of bandwidth control. We draw a temperature-filling phase diagram and find that the Mott-insulator to metal transition occurs with modest added electron concentrations, well within the capabilities of existing electrolyte gating experiments. We find that there is significant incoherent weight at the Fermi level in the metallic phase when the transition is induced by gating. In contrast, the spectral weight remains rather coherent in the case of the bandwidth-controlled transition.

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“…Mechanical deformation of a material is an efficient and facile approach to engineer its physical and chemical properties. For example, it has been widely studied and proved that elastic strain engineering is promising for electronic band structure manipulation, exciton formation and flow, topological phase transition, and controlling magnetic configurations [1][2][3][4][5][6][7], etc. Opto-mechanical approaches in materials, which converts photonic energy into mechanically elastic or plastic energy, is an unprecedented way to induce mechanical deformation through a noncontacting approach [8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Anisotropic terahertz optostriction in group-IV monochalcogenide compounds

Liu

Zhou

2022

Phys. Rev. B

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Terahertz (THz) technology is a cutting-edge scheme with various promising applications, such as next generation telecommunication, non-destructive evaluation, security check, and in-depth characterization, owing to their sensitivity to material geometric change and good transparency. Even though tremendous progresses have been made during the past decade, exploration the mechanisms of THz-matter interaction microscopically is still in its infancy. In this work, we use thermodynamic theory to show how THz illumination deforms materials and use group-IV monochalcogenide compounds to illustrate it. According to our first-principles density functional theory calculations, THz light with intermediate intensity (~10 9 W/cm 2 ) could yield elastic deformations on the order of ~0.1%, depending on laser polarization direction. Large anisotropic opto-mechanical responses are also revealed. Finally, we show that such strain can be detected via measuring the layer-resolved shift current under a probe light irradiation.

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Free-Carrier-Induced Ferroelectricity in Layered Perovskites

Cited by 27 publications

References 77 publications

Coupling between improper ferroelectricity and ferrimagnetism in hexagonal ferrites

Coupling between improper ferroelectricity and ferrimagnetism in hexagonal ferrites

Gating-Induced Mott Transition in NiS$_2$

Anisotropic terahertz optostriction in group-IV monochalcogenide compounds

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