Related papers: Sliding Flexoelectricity in Two-Dimensional van de…
Crystallographic alignment between two-dimensional crystals in van der Waals heterostructures brought a number of profound physical phenomena, including observation of Hofstadter butterfly and topological currents, and promising novel…
Combining first-principles calculations and tight-binding Hamiltonians, we study the stack-dependent behaviour of electronic and topological properties of layered antiferromagnet MnBi$_2$Te$_4$. Lateral shift of top septuple-layer greatly…
The influence of flexoelectric coupling on the internal structure of neutral domain walls in tetragonal phase of perovskite ferroelectrics is studied. The effect is shown to lower the symmetry of 180-degree walls which are oblique with…
When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…
We develop the moir\'e band theory for M-valley twisted square homobilayers with layer groups $P$-$42m$ and $P$-$4m2$, and propose candidate material realizations. We show that moir\'e ferroelectricity-originating from sliding…
Stacking ferroelectricity (SFE) has been discovered in a wide range of van der Waals materials and holds promise for applications, including photovoltaics and high-density memory devices. We show that the microscopic origin of out-of-plane…
Two-dimensional(2D) multiferroic materials hold significant promise for advancing the miniaturization and integration of nanodevices. In this study, we demonstrate that 2D bilayer ScI2, which exhibits ferromagnetic(FM) ordering within each…
Polar domains and their manipulation-particularly the creation and dynamic control-have garnered significant attention, owing to their rich physics and promising applications in digital memory devices. In this work, using density functional…
Flat elastic sheets tend to display wrinkles and folds. From pieces of clothing down to two-dimensional crystals, these corrugations appear in response to strain generated by sheet compression or stretching, thermal or mechanical mismatch…
We predict a large in-plane polarization response to bending in a broad class of trigonal two-dimensional crystals. We define and compute the relevant flexoelectric coefficients from first principles as linear-response properties of the…
The twist angle between the monolayers in van der Waals heterostructures provides a new degree of freedom in tuning material properties. We compare the optical properties of WSe2 homobilayers with 2H and 3R stacking using photoluminescence,…
The first switchable electric polarization in metals was recently discovered in bilayer and trilayer WTe2. Strangely, despite the tininess of the ordered polarization, the ferroelectricity survives up to 350 K, rendering the mechanism of…
We elucidate the flexoelectricity of materials in the high strain gradient regime, of which the underlying mechanism is less understood. By using the generalized Bloch theorem, we uncover a strong flexoelectric-like effect in bent thinfilms…
The switching dynamics of ferroelectric materials is a crucial intrinsic property which directly affects the operation and performance of ferroelectric devices. In conventional ferroelectric materials, the typical ferroelectric switching…
We demonstrate that sliding motion between two layers of the newly discovered ferroelectric and topologically trivial bismuth (Bi) monolayer [Nature 617, 67 (2023)] can induce a sequence of topological phase transitions, alternating between…
Stacking-dependent magnetism in two-dimensional van der Waals materials offers an effective route for controlling magnetic order without chemical modification. Here, we present a combined first-principles and finite-temperature study of…
Nanoscale ferroelectric 2D materials offer unique opportunity to investigate curvature and strain effects on materials functionalities. Among these, CuInP2S6 (CIPS) has attracted tremendous research interest in recent years due to…
Very recently, ferroelectric polarization in staggered bilayer hexagonal boron nitride (BBN) and its novel sliding inversion mechanism was reported experimentally (Science 2021, 372, 1458; 2021, 372, 1462), which paves a new way to realize…
We show that proximity effects can be utilized to engineer van der Waals heterostructures (vd- WHs) displaying spin-ferroelectricity locking, where ferroelectricity and spin states are confined to different layers, but are correlated by…
Metals exhibit a size-dependent hardening when subject to indentation. Mechanisms for this phenomenon have been intensely researched in recent times. Does such a size-effect also exist in the electromechanical behavior of…