Origin of Ferroelectricity in Hafnia from Epitaxial Strain

Ferroelectric hafnia is being explored for next generation electronics due to its robust ferroelectricity in nanoscale samples and its compatibility with silicon. However, its ferroelectricity is not understood. Other ferroelectrics usually lose their ferroelectricity for nanoscopic samples and thin films, and the hafnia ground state is non-polar baddeleyite. Here we study hafnia with density functional theory (DFT) under epitaxial strain, and find that strain not only stabilizes the ferroelectric phases, but also leads to unstable modes and a downhill path in energy from the high temperature tetragonal structure. We find that under tensile epitaxial strain $eta$ the tetragonal phase will distort to one of the two ferroelectric phases: for $eta > 1.5$%, the $Gamma^{-}_{5}$ mode is unstable and leads to oII , and at $eta > 3.75$% coupling between this mode and the zone boundary M1 mode leads to oI. Furthermore, under compressive epitaxial strain $eta < 0.55$% the ferroelectric oI is most stable, even more stable than baddeleyite.

Regular and in-plane skyrmions and antiskyrmions from boundary instabilities

We formulate a theory of skyrmion and antiskyrmion generation using magnetic field and charge current pulses. We show that the topological defect can be created at an edge of a system with Dzyaloshinskii-Moriya interaction (DMI) as well as at a boundary between regions with different DMI. We consider both perpendicular and in-plane (also known as magnetic bimeron

Spirals and skyrmions in antiferromagnetic triangular lattices

We study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal atoms (Cr, Mn, Fe, or Co) on a monolayer of MoS$_2$, WS$_2$, or WSe$_2$ and obtain the exchange, anisotropy, and Dzyaloshinskii-Moriya interaction parameters using first-principles calculations. Using energy minimization and parallel-tempering Monte-Carlo simulations, we determine the magnetic phase diagrams for a wide range of interaction parameters. We find that skyrmion lattices can appear even with weak Dzyaloshinskii-Moriya interactions, but their stability is hindered by magnetic anisotropy. However, a weak easy plane magnetic anisotropy can be beneficial for stabilizing the skyrmion phase. Our results suggest that Cr$/$MoS$_2$, Fe$/$MoS$_2$, and Fe$/$WSe$_2$ interfaces can host spin spirals formed from the 120$^{circ}$ antiferromagnetic states. Our results further suggests that for other interfaces, such as Fe$/$MoS$_2$, the Dzyaloshinskii-Moriya interaction is strong enough to drive the system into a three-sublattice skyrmion lattice in the presence of experimentally feasible external magnetic field.

Magnonic Analogue of Edelstein Effect in Antiferromagnetic Insulators

We investigate the nonequilibrium spin polarization due to a temperature gradient in antiferromagnetic insulators, which is the magnonic analogue of the inverse spin-galvanic effect of electrons. We derive a linear response theory of a temperature-gradient-induced spin polarization for collinear and noncollinear antiferromagnets, which comprises both extrinsic and intrinsic contributions. We apply our theory to several noncentrosymmetric antiferromagnetic insulators, i.e., to a one-dimensional antiferromagnetic spin chain, a single layer of kagome noncollinear antiferromagnet, e.g., $text{KFe}_3(text{OH})_6(text{SO}_4)_2$, and a noncollinear breathing pyrochlore antiferromagnet, e.g., LiGaCr$_4$O$_8$. The shapes of our numerically evaluated response tensors agree with those implied by the magnetic symmetry. Assuming a realistic temperature gradient of $10 text{K}/text{mm}$, we find two-dimensional spin densities of up to $sim 10^6hbar/text{cm}^2$ and three-dimensional bulk spin densities of up to $sim 10^{14}hbar/text{cm}^3$, encouraging an experimental detection.

Boundary twists, instabilities, and creation of skyrmions and antiskyrmions

We formulate and study the general boundary conditions dictating the magnetization profile in the vicinity of an interface between magnets with dissimilar properties. Boundary twists in the vicinity of an edge due to Dzyaloshinskii-Moriya interactions have been first discussed in [Wilson et al., Phys. Rev. B 88, 214420 (2013)] and in [Rohart and Thiaville, Phys. Rev. B 88, 184422 (2013)]. We show that in general case the boundary conditions lead to the magnetization profile corresponding to the Neel, Bloch, or intermediate twist. We explore how such twists can be utilized for creation of skyrmions and antiskyrmions, e.g., in a view of magnetic memory applications. To this end, we study various scenarios how skyrmions and antiskyrmions can be created from interface magnetization twists due to local instabilities. We also show that a judicious choice of Dzyaloshinskii-Moriya tensor (hence a carefully designed material) can lead to local instabilities generating certain types of skyrmions or antiskyrmions. The local instabilities are shown to appear in solutions of the Bogoliubov-de-Gennes equations describing ellipticity of magnon modes bound to interfaces. In one considered scenario, a skyrmion-antiskyrmion pair can be created due to instabilities at an interface between materials with properly engineered Dzyaloshinskii-Moriya interactions. We use micromagnetics simulations to confirm our analytical predictions.