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Low-dimensional ferroelectricity has attracted tremendous attention due to its huge potential in device applications. Here, based on first-principles calculations, we predict the existence of spontaneous in-plane electrical polarization and…
The field of topological insulators (TI) was sparked by the prediction of the quantum spin Hall effect (QSHE) in time reversal invariant systems, such as spin-orbit coupled monolayer graphene. Ever since, a variety of monolayer crystals…
The discovery of ferromagnetism in two-dimensional (2D) monolayers has stimulated growing research interest in both spintronics and material science. However, these 2D ferromagnetic layers are mainly prepared through an incompatible…
We address the origin of the incipient magnetism in TiBe$_2$ through precise first principles calculations, which overestimate the ferromagnetic tendency and therefore require correction to account for spin fluctuations. TiBe$_2$ has sharp…
The electronic, magnetic, and topological properties of CoBr2 monolayer are studied in the frame-work of the density-functional theory (DFT) combined with tight-binding (TB) modeling in terms of Wannier basis. Our DFT investigation and…
Identifying intrinsic low-dimensional ferromagnets with high transition temperature and electrically tunable magnetism is crucial for the development of miniaturized spintronics and magnetoelectrics. Recently long-range 2D ferromagnetism…
Two-dimensional (2D) ferroelectric (FE) materials are promising compounds for next-generation nonvolatile memories, due to their low energy consumption and high endurance. Among them, {\alpha}-In$_{2}$Se$_{3}$ has drawn particular attention…
We construct ferroelectric (LuFeO3)m/(LuFe2O4) superlattices with varying index m to study the effect of confinement on topological defects. We observe a thickness-dependent transition from neutral to charged domain walls and the emergence…
In order to tune the magnetic properties of the cleavable high-Curie temperature ferromagnet Fe$_{5-x}$GeTe$_2$, the effect of increasing the electron count through arsenic substitution has been investigated. Small additions of arsenic (2.5…
We theoretically analyze the topological insulator (TI) surface state mediated interactions between local moments in a proximate 2D ferromagnetic insulator (FMI) motivated by recent experiments that show a significant increase in the Curie…
Monolayer 1T'-WTe2 is a quantum spin Hall insulator with a gapped bulk and gapless helical edge states persisting to temperatures around 100 K. Recent studies have revealed a topological-to-trivial phase transition as well the emergence of…
The origin of superconductivity in the FeSe monolayer on SrTiO$_3$ remains one of the unresolved mysteries in condensed-matter physics. Here by investigation of the temperature evolution of the dynamic charge response of FeSe/SrTiO$_3$ we…
Stable and remarkable valley polarization effect is the key to utilizing valley degree of freedom in valleytronic devices. According to first-principles calculations and symmetry analysis, we reveal that valley polarization effect in…
Two-dimensional transition metal dichalcogenides have attracted great attention recently. Motivated by a recent study of crystalline bulk VTe$_2$, we theoretically investigated the spin-charge-lattice interplay in monolayer VTe$_2$. To…
Coulomb interaction between electrons lies at the heart of magnetism in solids. In contrast to conventional two-dimensional (2D) systems, electrons in monolayer transition metal dichalcogenides (TMDs) possess coupled spin and valley degrees…
To realize room temperature ferromagnetic semiconductors is still a challenge in spintronics. Recent experiments have obtained two-dimensional (2D) room temperature ferromagnetic metals, such as monolayer MnSe2. In this paper, we proposed a…
An antiferromagnetic transition is observed in single crystal EuRh2As2 at a high temperature T_N = 47 K compared to the ferromagnetic Weiss temperature theta = 12 K. We show that this is, surprisingly, consistent with mean field theory. A…
The compounds Ca(Fe1-xNix)2As2 with the tetragonal ThCr2Si2-type structure (space group I4/mmm) show a continuous transition of the interlayer As-As distances from a non-bonding state in CaFe2As2 (dAs-As = 313 pm) to single-bonded…
The sensitive dependence of monolayer materials on their environment often gives rise to unexpected properties. It was recently demonstrated that monolayer FeSe on a SrTiO$_3$ substrate exhibits a much higher superconducting critical…
Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride Y$_2$C is a weak itinerant ferromagnet or at least close to a ferromagnetic instability. The ferromagnetism is induced by the…