Related papers: Quadruple-well ferroelectricity and moderate switc…
Multiferroic perovskites that exhibit room temperature magnetization and polarization have immense potential in the next generation of magneto-electric and spintronic memory devices. In this work, the magnetic and ferroelectric properties…
Recent experimental and theoretical work has shown that the double perovskite NaLaMnWO$_6$ exhibits antiferromagnetic ordering owing to the Mn $d$ states, and computational studies further predict it to exhibit a spontaneous electric…
We report that an external electric field applied normal to bilayers of transition-metal dichalcogenides TX2, M = Mo, W, X = S, Se, creates significant spin-orbit splittings and reduces the electronic band gap linearly with the field…
First-principles modeling of ferroelectric capacitors presents several technical challenges, due to the coexistence of metallic electrodes, long-range electrostatic forces and short-range interface chemistry. Here we show how these aspects…
In polar oxide interfaces phenomena such as conductivity, superconductivity, magnetism, one-dimensional conductivity and Quantum Hall states can emerge at the polar discontinuity. Combining controllable ferroelectricity at such interfaces…
Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of monolayers, are studied using first-principles methods. Such…
The control and steering of light at nanometre length scales is crucial for the development of both fundamental science and nanophotonic technologies. Recent advancements have been achieved by exploiting various crystalline anisotropies,…
Sliding ferroelectricity may emerge in many van der Waals bilayers/multilayers and the low switching barriers render ultrafast data writing with low energy cost. We note that such barriers are still much higher compared with structural…
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…
First-principles calculations and a tight-binding analysis predict that the iron-pnictide BaCrFeAs2 is a promising candidate for half-metallic material with fully-compensated magnetization. The transition-metal ions Cr and Fe prefer the…
We use first-principles calculations based on density functional theory to investigate the interplay between oxygen vacancies, A-site cation size / tolerance factor, epitaxial strain, ferroelectricity and magnetism in the perovskite…
Tunnel devices based on ferroelectric Hf0.5Zr0.5O2 (HZO) barriers hold great promises for emerging data storage and computing technologies. The resistance state of the device can be changed by a suitable writing voltage. However, the…
The bistability of charge polarization in ferroelectric materials has long been the basis of ferroelectric devices. However, the ferroelectricity tends to be vanishing as the thickness of materials is reduced to a few nanometers or thinner…
In the quest for reliable and power-efficient memristive devices, ferroelectric tunnel junctions are being investigated as potential candidates. CMOS-compatible ferroelectric hafnium oxides are at the forefront. However, in epitaxial tunnel…
Titanates with the perovskite structure, including ferroelectrics (e.g., BaTiO$_3$) and ferromagnetic ones (e.g., YTiO$_3$), are important functional materials. Recent theoretical studies predicted multiferroic states in strained EuTiO$_3$…
The discovery of van der Waals magnets has established a new domain in the field of magnetism, opening novel pathways for the electrical control of magnetic properties. In this context, Fe3GeTe2 (FGT) emerges as an exemplary candidate owing…
The ongoing search for new piezoelectric materials offering adequate balance between piezoelectric response and other application-relevant properties has lead to the investigation of various alloy systems. In this work we study the alloy of…
We investigate the strain dependence of the ferroelectric polarization and the structure of the ferroelectric domain walls in the layered perovskite-related barium fluorides, BaMF$_4$ (M=Mg, Zn). The unusual "geometric ferroelectricity" in…
Traditional ferroelectrics are limited by Neumann's principle, which confines exploration of ferroelectrics within polar point groups. Our recent work [Nat. Commun. 15, 135, (2024)] proposes the concept of fractional quantum…
Piezoelectric and ferroelectric properties in the two dimensional (2D) limit are highly desired for nanoelectronic, electromechanical, and optoelectronic applications. Here we report the first experimental evidence of out-of-plane…