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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…

Materials Science · Physics 2016-04-08 Alessio Filippetti , Vincenzo Fiorentini , Francesco Ricci , Pietro Delugas , Jorge Íñiguez

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…

Materials Science · Physics 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,…

Mesoscale and Nanoscale Physics · Physics 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…

Strongly Correlated Electrons · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Strongly Correlated Electrons · Physics 2016-11-09 Emilie Bruyer , Domenico Di Sante , Paolo Barone , Alessandro Stroppa , Myung-Hwan Whangbo , Silvia Picozzi

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…

Materials Science · Physics 2024-05-21 Thomas Leiner , Nikola Koutná , Jozef Janovec , Martin Zelený , Paul H. Mayrhofer , David Holec

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…

Materials Science · Physics 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 $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

Materials Science · Physics 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…

Strongly Correlated Electrons · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Materials Science · Physics 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…

Superconductivity · Physics 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…

Mesoscale and Nanoscale Physics · Physics 2019-03-25 Junchao Ma , Ke Deng , Lu Zheng , Sanfeng Wu , Zheng Liu , Shuyun Zhou , Dong Sun