Related papers: Accurate force field of two-dimensional ferroelect…
The demand for renewable and environmentally friendly energy source has attracted extensive research on high performance catalysts. Ferroelectrics which are a class of materials with a switchable polarization are the unique and promising…
We report a high throughput computational search for two-dimensional ferroelectric materials. The starting point is 252 pyroelectric materials from the computational 2D materials database (C2DB) and from these we identify 64 ferroelectric…
Composition-temperature phase diagrams are crucial for designing ferroelectric materials, however predicting them accurately remains challenging due to limited phase transformation data and the constraints of conventional methods. Here, we…
Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as…
Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…
All-electric-controlled nonvolatile spin field-effect transistors (SFETs) based on two-dimensional (2D) multiferroic van der Waals (vdW) heterostructures hold great promise for advanced spintronics applications. However, their performance…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
Van der Waals "sliding" ferroelectric bilayers, whose electric polarization is locked to the interlayer alignment, show promise for future non-volatile memory and other nanoelectronic devices. These applications require a fuller…
Ferroelectric field-effect transistors (FeFET) with two-dimensional (2D) semiconductor channels are promising low-power, embedded non-volatile memory (NVM) candidates for next-generation in-memory computing. However, the performance of…
Van der Waals In$_2$Se$_3$ has garnered significant attention due to its unique properties and wide applications associated with its rich polymorphs and polymorphic phase transitions. Despite extensive studies, the vast complex polymorphic…
The multiple ferroelectric polarization tuned by external electric field could be used to simulate the biological synaptic weight. Ferroelectric synaptic devices have two advantages compared with other reported ones: One is the intrinsic…
Since the discovery of graphene, two-dimensional materials with atomic level thickness have rapidly grown to be a prosperous field of physical science with interdisciplinary interests, for their fascinating properties and broad…
Ferromagnetism in the two-dimensional materials is of great significance and has become an emerging topic. The ferromagnetic VS$_2$ and VSe$_2$ monolayers have been experimentally synthesized, and O element belongs to the same group as S…
We study theoretically the influence of the underlying domain microstructure on the electromechanical properties of ferroelectrics. Our calculations are based on a continuum approach that incorporates the long-range elastic and…
The integration of transition metal dichalcogenides (TMDs) with ferroelectric substrates is a powerful strategy to modulate their electronic and optical properties. However, the use of relaxor ferroelectrics for this purpose remains…
The synergy of ferroicity with altermagnetism offers a novel platform for designing multifunctional altermagnetic-spintronic device technology. In this work, we propose a mechanism to achieve nonvolatile electrical manipulation of spin and…
We propose a mechanism where the valley splitting is caused by an in-plane electric polarization and the coupling between the two makes it possible for an electric field to control the valley degree of freedom. We demonstrate this by…
Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of classical MD. Inspired by foundational large language models,…
In this work we use a phenomenological theory of ferroelectric switching in BiFeO$_3$ thin films to uncover the mechanism of the two-step process that leads to the reversal of the weak magnetization of these materials. First, we introduce a…