Related papers: Giant electro-optic and elasto-optic effects in fe…
Multiferroic materials, characterized by the coexistence of ferroelectricity and ferromagnetism, may unveil band structures suggestive of complex phenomena and new functionalities. In this Letter, we analyze the band structure of EuO in its…
Two-dimensional (2D) van der Waals (vdW) materials and their bilayers have stimulated enormous interests in fundamental researches and technological applications. Recently, a group of 2D vdW III2-VI3 materials with out-of-plane…
Flexoelectricity induced by strain gradient in dielectrics is highly desirable for electromechanical actuating and sensing systems. It is broadly adopted that flexoelectric polarization responds linearly to strain gradient without…
We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…
Two-dimensional (2D) layered ferroelectrics, as an emerging area of research, have attracted extensive attention, while memristors based on new 2D ferroelectric materials have yet to be fully explored, thereby limiting their applications in…
Ferroelectric (FE) metals have been attracting attention as they possess both metallicity and ferroelectricity, the two seemingly incompatible physical properties. An important problem for both fundamental research and potential…
In this paper, we demonstrate NiCo$_2$O$_4$ (NCO) as an efficient new nonlinear optical material with straightforward potential applications in optical limiting devices. We obtain nonlinear absorption coefficient ($\beta$) and nonlinear…
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…
The structural and electronic properties of bulk, monolayer and ultrathin films of V$_2$O$_5$ and MoO$_3$ layered oxides have been studied with first-principles density functional theory calculations including Van der Waals dispersion…
In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…
The second and third order nonlinear susceptibilities of the ferroelectric oxides LiNbO$_3$, LiTaO$_3$, and KNbO$_3$ are calculated from first principles. Two distinct methodologies are compared, one approach is based on a perturbative…
Two-dimensional (2D) niobium oxydihalide NbOI$_2$ has been recently demonstrated as an excellent in-plane piezoelectric and nonlinear optical materials. Here we show that Janus niobium oxydihalide, NbO$XY$ (X, Y = Cl, Br, I and X$\neq$Y),…
We investigate ferroelectric- and resistive switching behavior in 18-nm-thick epitaxial BaTiO$_3$ (BTO) films in a model electrolyte-ferroelectric-semiconductor (EFS) configuration. The system is explored for its potential as a…
Electrically tunable metasurfaces leveraging the strong Pockel's effect in barium titanate (BaTiO$_3$ or BTO) are a promising platform for reconfigurable free-space optical devices. However, the high cost, limited scalability, and…
LiNbO3 (LN) is renowned for its exceptional ferroelectric properties, particularly its notable linear electro-optical (EO) effect, which is highly advantageous for various applications such as high-speed communication, optical computation,…
In this work, we have performed a comprehensive study of dielectric materials NbOX2 (X=Cl, Br, and I) within the framework of density functional theory, incorporating both conventional and hybrid functionals.Our studies focus on the…
In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…
Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semi-metallic states in two-dimensional monolayer of h-NbN subjected to electric field and in-plane strain ($\epsilon$). At strains…
Realization of giant and continuously tunable second-order photocurrent is desired for many nonlinear optical (NLO) and optoelectronic applications, which remains to be a great challenge. Here, based on a simple two-band model, we propose a…
An analysis of the dynamic dielectric and electro-optic relaxation response of thin film ferroelectrics is presented. The analysis is based upon the relaxation of ferroelectric domains with a continuous distribution of sizes given by…