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Ferroelectricity has been believed unable to coexist with metallicity since the free carriers can screen the internal coulomb interactions of dipoles. Very recently, one kind of materials called as ferroelectric metal was reexamined. Here,…

Materials Science · Physics 2017-11-08 Jun-xing Gu , Kui-juan Jin , Chao Ma , Qing-hua Zhang , Lin Gu , Chen Ge , Jie-su Wang , Hai-zhong Guo , Guo-zhen Yang

BaBiO$_3$ is a charged ordered Peierls-like perovskite well known for its superconducting properties upon K or Pb doping. We present a study on the transport and electronic properties of BaBiO$_3$ perovskite with strong Bi-deficiency. We…

We study ferroelectricity in the classic perovskite ferroelectric PbTiO$_3$ to high pressures with density functional theory (DFT) and experimental diamond-anvil techniques. We use second harmonic generation (SHG) spectroscopy to detect…

Materials Science · Physics 2024-11-04 R. E. Cohen , Yangzheng Lin , Muhtar Ahart , Russell J. Hemley

The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a given atomic site. In ferroelectric materials, the loss of…

Materials Science · Physics 2012-07-31 J. N. Gonçalves , A. Stroppa , J. G. Correia , T. Butz , S. Picozzi , A. S. Fenta , V. S. Amaral

First-principles total-energy calculations are carried out for (001) surfaces of the cubic perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2-terminated surfaces are considered, and fully-relaxed atomic…

Materials Science · Physics 2015-06-25 B. Meyer , J. Padilla , David Vanderbilt

The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently…

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…

Results of low temperature dielectric measurements on the mixed (Ca_(1-x)Pb_(x))TiO_(3) system are presented to show that a dielectric anomaly appears for x \geq 0.10. The observed dielectric peak is shown to be due to a thermodynamic phase…

Materials Science · Physics 2007-05-23 Amreesh Chandra , Dhananjai Pandey

Relaxor ferroelectric perovskites are highly polarizable and can exhibit giant coupling between elastic strain and an applied electric field. Here, we report an in situ extended X-ray absorption fine structure (EXAFS) study of a…

Here, we report the existence of large remnant polarization and dielectric constant in PbTiO3 buffered polycrystalline (BiFeO_3)_{1-x} (PbTiO_3)_x thin films of composition x = 0.25, 0.30 and 0.35 around the morphotropic phase boundary. The…

A relationship is derived between differences in electric polarization between bands and the "shift vector" that controls part of a material's bulk photocurrent, then demonstrated in several models. Electric polarization has a quantized…

Mesoscale and Nanoscale Physics · Physics 2017-08-21 Benjamin M. Fregoso , Takahiro Morimoto , Joel E. Moore

The bulk photovoltaic effect exhibited by the non-centrosymmetric system gains research interest due to the observed large open-circuit voltage. The ferroelectric systems exhibiting anomalous photovoltaic effect are mostly crystallized with…

Materials Science · Physics 2021-04-08 Subhajit Pal , S. Muthukrishnan , Banasree Sadhukhan , Sarath N. , D. Murali , Pattukkannu Murugavel

The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…

A first-principles derived approach is combined with the inverse Monte Carlo technique to determine the atomic orderings leading to prefixed properties in Pb(Sc_{0.5}Nb_{0.5})O_{3} perovskite alloy. We find that some arrangements between Sc…

Materials Science · Physics 2009-11-07 Jorge Iniguez , L. Bellaiche

The past decade's discovery of topological excitations in nanoscale ferroelectrics has turned the prevailing view that the polar ground state in these materials is uniform. However, the systematic understanding of the topological polar…

Mesoscale and Nanoscale Physics · Physics 2023-04-05 Svitlana Kondovych , Maksim Pavlenko , Yurii Tikhonov , Anna Razumnaya , Igor Lukyanchuk

For the intrinsic carriers of MAPbBr$_{3}$, the temperature $T$ dependent mobility $\mu(T)$ of behaves like $\mu\propto T^{-1/2}$ in piezoelectric tetragonal phase, $\mu\propto T^{-1.4}$ in non-piezoelectric cubic phase. But for the…

Materials Science · Physics 2018-05-07 Ming-Hui Zhang , Ming-Liang Zhang

Ferroelectric materials underlie key optical technologies in optical communications, integrated optics and quantum computing. Yet, there is a lack of a consistent thermodynamic framework to predict the optical properties of ferroelectrics…

AgNbO$_3$ is a lead-free perovskite with considerable potential for energy storage and optoelectronic applications, yet its low-temperature crystal structure has remained controversial. In this Letter, we revisit its low-energy structural…

Materials Science · Physics 2026-02-24 Ying Song , Lingzhi Cao , Jinming Zhai , Zhilong Yang , Yali Yang , Laurent Bellaiche , Jiangang He

We report nearly single phase Pb(Zr0.14Ti0.56Ni0.30)O3-delta(PZTNi30) ferroelectric having large remanent polarization (15-30 {\mu}C/cm2), 0.3-0.4 V open circuit voltage (VOC), reduced band gap (direct 3.4 eV, and indirect 2.9 eV), large ON…

Materials Science · Physics 2014-03-04 Shalini Kumari , Nora Ortega , Ashok Kumar , J. F. Scott , R. S. Katiyar

Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure.…

Materials Science · Physics 2026-04-16 Himal Wijekoon , Pierre Hirel , Anna Grünebohm