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We have observed a sizable positive magnetocapacitance ($\sim$$5-90\%$) in perovskite Pr$_{0.55}$Ca$_{0.45}$MnO$_3$ and bilayer Pr(Sr$_{0.1}$Ca$_{0.9}$)$_2$Mn$_2$O$_7$ system under 5T magnetic field across 20-100 K below the magnetic…

Strongly Correlated Electrons · Physics 2013-11-22 Ujjal Chowdhury , Sudipta Goswami , Dipten Bhattacharya , Arindam Midya , P. Mandal , P. Das , Y. M. Mukovskii

Metal halide perovskites possess desirable optical, material, and electrical properties which have had substantial impact on next-generation optoelectronics. However, given the toxicity of lead, alternative lead-free perovskite…

We studied dielectric properties of nano-sized liquid water samples confined in polymerized silicates MCM-41 characterized by the porous sizes \sim 3-10nm. We report the direct measurements of the dielectric constant by the dielectric…

Soft Condensed Matter · Physics 2015-05-27 P. O. Fedichev , L. I. Menshikov , G. S. Bordonskiy , A. O. Orlov

Crystalline materials with broken inversion symmetry can exhibit a spontaneous electric polarization, which originates from a microscopic electric dipole moment. Long-range polar or anti-polar order of such permanent dipoles gives rise to…

The design of novel multiferroic ABO$_3$ perovskites is complicated by the presence of necessary magnetic cations and ubiquitous antiferrodistortive modes, both of which suppress polar distortions. Using first-principles simulations, we…

Materials Science · Physics 2024-06-10 Cameron A. M. Scott , Nicholas C. Bristowe

The ferroelectric polarization switching in ferroelectric hafnium zirconium oxide (Hf0.5Zr0.5O2, HZO) in the HZO/Al2O3 ferroelectric/dielectric stack is investigated systematically by capacitance-voltage and polarization-voltage…

Applied Physics · Physics 2019-06-25 Mengwei Si , Xiao Lyu , Peide D. Ye

Spontaneous polarization is essential for ferroelectric functionality in non-centrosymmetric crystals. High-integration-density ferroelectric devices require the stabilization of ferroelectric polarization in small volumes. Here,…

Ferroelectric materials exhibit a switchable, spontaneous polarization at the unit cell level--an attractive property utilized in many emerging technologies including, among others, high-density memory storage, low-power transistors, and…

Materials Science · Physics 2026-01-15 Claire Griesbach , Tizian Scharsach , Morgan Trassin , Dennis M. Kochmann

Ferroelectric materials are characterized by degenerate ground states with multiple polarization directions. In a ferroelectric capacitor this should manifest as equally favourable up and down polarization states. However, this ideal…

Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in…

Materials Science · Physics 2025-06-03 Wahib Aggoune , Matthias Scheffler

We propose a theoretical model of a ferroelectric metal where spontaneous electric polarization coexists with the conducting electrons. In our model we adopt a scenario when conducting electrons interact with two soft transverse optical…

Strongly Correlated Electrons · Physics 2022-09-28 Vladimir A. Zyuzin , Alexander A. Zyuzin

Conventional perovskite-type ferroelectrics are based on octahedral units of oxygen, and often comprise toxic Pb to achieve robust ferroelectricity. Here, we report the ferroelectricity in a silicate-based compound, Bi2SiO5 (BSO), induced…

We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the…

Statistical Mechanics · Physics 2009-10-31 A. M. Bratkovsky , A. P. Levanyuk

Using molecular dynamics simulation, we study dipolar glass in crystals composed of slightly spheroidal, polar particles and spherical, apolar impurities between metal walls. We present physical pictures of ferroelectric glass, which have…

Soft Condensed Matter · Physics 2017-03-27 Kyohei Takae , Akira Onuki

We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab-initio molecular dynamics. We…

Mesoscale and Nanoscale Physics · Physics 2014-12-15 Jarvist M. Frost , Keith T. Butler , Aron Walsh

Aluminum nitride is piezoelectric and exhibits spontaneous polarization along the $c$-axis, but the polarization cannot be switched by applying an electric field. Adding Sc to AlN enhances the piezoelectric properties, and can make the…

Materials Science · Physics 2021-11-16 Haochen Wang , Nicholas Adamski , Sai Mu , Chris G. Van de Walle

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

Solid-state cooling presents an energy-efficient and environmentally friendly alternative to traditional refrigeration technologies that rely on thermodynamic cycles involving greenhouse gases. However, conventional caloric effects face…

Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally…

Materials Science · Physics 2020-12-10 Eve M. Mozur , James R. Neilson

Excitonic/electronic coupling and cooperative interactions in self-assembled lead halide perovskite nanocrystals were reported to give rise to a collective low energy emission peak with accelerated dynamics. Here we report that similar…