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The possibility that metals may support ferroelectricity is an open issue. Anderson and Blount showed that certain martensitic transitions involve inversion symmetry breaking and the formal existence of a polar axis, so 'metallic…

A correlation between structure and vibrational properties related to a ferroelectric to paraelectric phase transition in perovskite Pb(1-x)(Na0.5Sm0.5)xTiO3 (PNST - x) polycrystalline powders is discussed. Substitution leads to reduction…

Very sensitive responses to external forces are found near phase transitions. However, phase transition dynamics and pre-equilibrium phenomena are difficult to detect and control. We have directly observed that the equilibrium domain…

The switching polarization of a ferroelectric is a characterization of the current that flows due to changes in polarization when the system is switched between two states. Computation of this change in polarization in crystal systems has…

材料科学 · 物理学 2020-07-29 John Bonini , David Vanderbilt , Karin M. Rabe

The possibility of the formation of an electron-hole liquid in the type II heterostructures based on monolayers (bilayers) of transition metal dichalcogenides is considered. It is indicated that additional valleys in the conduction band,…

介观与纳米尺度物理 · 物理学 2022-06-22 Pavel V. Ratnikov

We theoretically consider two-dimensional moir\'e transition metal dichalcogenide (TMD) bilayers, which are strongly correlated in the sense that the on-site Coulomb interaction is comparable to or larger than the hopping kinetic energy…

强关联电子 · 物理学 2022-01-20 Haining Pan , Sankar Das Sarma

At variance with structural ferroic phase transitions which give rise to macroscopic tensors coupled to macroscopic fields, criteria defining antiferroelectric (AFE) phase transitions are still under discussion due to the absence of…

材料科学 · 物理学 2016-07-13 Pierre Tolédano , Mael Guennou

To investigate the possible origin and mechanism of ferroelectricity in polycrystalline spin ices Ho2Ti2O7 and Dy2Ti2O7 a detailed dielectric study has been performed. Experimental finding suggests that both materials have two prominent…

材料科学 · 物理学 2017-11-27 Pramod K. Yadav , Chandan Upadhyay

Crystallography and dielectric properties in Dion-Jacobson layered perovskites, CsNdNb$_2$O$_7$ and RbNdNb$_2$O$_7$, have been examined in dense polycrystalline samples, and polarization hysteresis loops that substantiate ferroelectricity…

Ferroelectricity occurs in crystals with broken spatial inversion symmetry. In conventional perovskite oxides, concerted ionic displacements within a three-dimensional network of transition metal-oxygen polyhedra (MOx) manifest spontaneous…

First-principles calculations were carried out to explore the possible coupling between spin-polarized electronic states and ferroelectric polarization in monolayers of transition-metal dichalcogenides MX 2 (M = Mo, W; X = S, Se, Te) with…

Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

材料科学 · 物理学 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

材料科学 · 物理学 2023-07-12 Yongjin Shin , Giulia Galli

Bilayer honeycomb lattice, with inter-layer tunneling energy, has a parabolic dispersion relation, which causes the charge imbalance between two sublattices. Here, we investigate the metal-insulator and magnetic phase transitions on the…

强关联电子 · 物理学 2014-01-20 Hong-Shuai Tao , Yao-Hua Chen , Heng-Fu Lin , Hai-Di Liu , Wu-Ming Liu

Many materials exhibit nanoscale phase separation, when inside the host thermodynamic phase there arise nanosize embryos of another thermodynamic phase. A prominent example of this phenomenon is provided by ferroelectric materials. The…

介观与纳米尺度物理 · 物理学 2016-12-13 V. I. Yukalov , E. P. Yukalova

A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…

材料科学 · 物理学 2015-06-23 J. Frantti , Y. Fujioka , A. Puretzky , Y. Xie , Z. -G. Ye , C. Parish , A. M. Glazer

Recently, coexisting ferroelectricity and superconductivity were reported in bilayer T$_{\textrm{d}}$-MoTe$_2$ and twisted bilayer graphene. Importantly, it was observed that an applied displacement field switches the superconductivity with…

超导电性 · 物理学 2025-12-05 Yanfang Li , Xin-Zhi Li , Wen-Yu He

The coexistence of multiple ferroic orders, i.e. multiferroicity, is a scarce property to be found in materials. Historically, this state has been found mainly in 3-dimensional complex oxides, but so far this state has still been elusive…

We review recent experimental progresses on layered topological materials, mainly focusing on transitional metal dichalcogenides with various lattice types including 1T, Td and 1T' structural phases. Their electronic quantum states are…

介观与纳米尺度物理 · 物理学 2019-03-25 Junchao Ma , Ke Deng , Lu Zheng , Sanfeng Wu , Zheng Liu , Shuyun Zhou , Dong Sun