相关论文: General Theory for Bilayer Stacking Ferroelectrici…
We uncover a new pathway towards multiferroicity, showing how magnetism can drive ferroelectricity without relying on inversion symmetry breaking of the magnetic ordering. Our free-energy analysis demonstrates that any commensurate…
2D van der Waals ferroelectric semiconductors have emerged as an attractive building block with immense potential to provide multifunctionality in nanoelectronics. Although several accomplishments have been reported in ferroelectric…
Two-dimensional (2D) ferroelectricity has attracted extensive attention since its discovery in the monolayers of van der Waals materials. Here we show that 2D ferroelectricity induced by octahedral rotation distortion is widely present in…
Light-induced sliding ferroelectricity in two-dimensional van der Waals materials enables polarization control via relative layer motion. However, polarization switching occurs on the time scale of shear modes (tens of ps) and requires very…
We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is…
Despite their ionic nature, many layered diatomic crystals avoid internal electric polarization by forming a centrosymmetric lattice at their optimal anti-parallel van-der-Waals stacking. Here, we report a stable ferroelectric order…
Materials combining electrically switchable ferroelectricity and tunable topological states hold significant promise for advancing both foundamental quantum phenomena and innovative device architectures. Here, we employ first-principles…
We present a first-principles study of the nonlinear optical properties of sliding ferroelectric bilayers based on MoSe$_2$ and Janus MoSSe. Two Janus configurations are considered: i) one bilayer where the two intralayer polarizations…
Sliding ferroelectricity is a recently observed polarity existing in two-dimensional materials. However, due to their weak polarization and poor electrical insulation in these materials, all available experimental evidence till now are…
Structural, electronic, ferroelectric, and optical properties of two-dimensional (2D) BiN monolayer material with phosphorene-like structure are studied in terms of the density functional theory and modern Berry phase ferroelectric method.…
Low-dimensional ferroelectricity and polar materials have attracted considerable attentions for their fascinating physics and potential applications. Based on first-principles calculations, here we investigate the stacking modes and polar…
The macroscopic dielectric permittivity of dielectric crystals is related to the microscopic atomic polarizability of constituent atoms by the known Clausius-Mossotti relation obtained in the middle of 19th century. We derive a similar…
Multiferroic materials are potential to be applied in novel magnetoelectric devices, for example, high-density non-volatile storage. Last decades, research on multiferroic materials was focused on three-dimensional (3D) materials. However,…
Chromium trihalides, CrX$_3$ (with X = Cl, Br, I), are a family of layered magnetic materials that can be easily exfoliated to provide ferromagnetic monolayers. When two layers are stacked together to form a bilayer the interlayer exchange…
With its atomically thin structure and intrinsic ferroelectric properties, heterodeformed bilayer hexagonal boron nitride (hBN) has gained prominence in next-generation non-volatile memory applications. However, studies to date have focused…
Light-matter interaction is one of the key routes to understanding and manipulating geometric and electronic behaviors of materials, especially two-dimensional materials which are optically accessible owing to their high surface to volume…
Ferroelectric HfO$_2$ has emerged as a highly promising material for high-density nonvolatile memory and nanoscale transistor applications. However, the uncertain origin of polarization in HfO$_2$ limits our ability to fully understand and…
Sliding ferroelectricity is a unique type of polarity recently observed in a properly stacked van der Waals bilayer. However, electric-field control of sliding ferroelectricity is hard and could induce large coercive electric fields and…
Valley polarization and altermagnetism are two emerging fundamental phenomena in condensed matter physics, offering unprecedented opportunites for information encoding and processing in novel energy-efficient devices. By coupling valley and…
The existence of ferroelectricity in {$\mathrm{BiMnO}_3$} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structure, the ionic crystal planes cause a large roughness in thin…