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Material surfaces encompass structural and chemical discontinuities that often lead to the loss of the property of interest in the so-called dead layers. It is notably problematic in nanoscale oxide electronics, where the integration of…

We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…

Materials Science · Physics 2011-11-09 Pio Baettig , Nicola Spaldin

We propose a novel ferroelectric switchable altermagnetism effect, the reversal of ferroelectric polarization is coupled to the switching of altermagnetic spin splitting. We demonstrate the design principles for the ferroelectric…

The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke- Ernzerhof revised for solids (PBEsol) + U…

Materials Science · Physics 2012-06-04 Huafeng Dong , Jingbo Li , Zhigang Wu

Polar metals characterized by the simultaneous coexistence of ferroelectric distortions and metallicity have attracted tremendous attention. Developing such materials at low dimensions remains challenging since both conducting electrons and…

Materials Science · Physics 2020-03-24 Tao Xu , Jingtong Zhang , Yuquan Zhu , Jie Wang , Takahiro Shimada , Takayuki Kitamura , Tong-Yi Zhang

PbTiO3 has the highest tetragonal distortion (c/a=1.064) and highest spontaneous polarization among perovskite titanates. But, it is hazardous and hence one needs to reduce Pb content by substituting or reducing Pb content for use in…

Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoOx (x = 2.5 - 3) epitaxial thin films. Drastically different electronic ground states, which are extremely…

Strongly Correlated Electrons · Physics 2013-08-29 Woo Seok Choi , Hyoungjeen Jeen , Jun Hee Lee , S. S. Ambrose Seo , Valentino R. Cooper , Karin M. Rabe , Ho Nyung Lee

Perovskite ABO$_3$ oxides display an amazing variety of phenomena that can be altered by subtle changes in the chemistry and internal structure, making them a favorite class of materials to explore the rational design of novel properties.…

Materials Science · Physics 2015-05-30 Nicole A. Benedek , Andrew T. Mulder , Craig J. Fennie

We propose to insert TiO layers to perovskite ATiO$_{3}$ to form a superlattice and use first-principles calculations to investigate its basic properties. Our computational analysis shows that the structure, which consists of repeated…

Materials Science · Physics 2020-02-11 S. Raza , R. Zhang , N. Zhang , Z. Li , L. Liu , F. Zhang , D. Wang , C. -L. Jia

Dielectric study on Ca3Mn2O7 features relaxor-like segmented dynamics below the antiferromagnetic ordering. Dipolar relaxations of different origin are spectrally resolved exhibiting distinct H-field alterations. This identifies their…

Materials Science · Physics 2019-09-10 Pooja Sahlot , Gaurav Sharma , Vasant Sathe , Anand Mohan Awasthi

In purely c-axis oriented PbZr$_{0.2}$Ti$_{0.8}$O$_3$ ferroelectric thin films, a lateral piezoresponse force microscopy signal is observed at the position of 180{\deg}domain walls, where the out-of-plane oriented polarization is reversed.…

Materials Science · Physics 2015-05-19 J. Guyonnet , H. Bea , P. Paruch

Piezoelectricity is inherent only in noncentrosymmetric materials, but a piezoelectric response can also be obtained in centrosymmetric crystals if subjected to inhomogeneous deformation. This phenomenon, known as flexoelectricity, affects…

Materials Science · Physics 2007-10-22 P. Zubko , G. Catalan , A. Buckley , P. R. L. Welche , J. F. Scott

Epitaxial strain plays an important role in determining physical properties of perovskite ferroelectric oxide thin films. However, it is very challenging to directly measure properties such as polarization in ultrathin strained films using…

Halide perovskites are perceived to be the promising class of materials for optoelectronics, spinorbitronics and topological electronics due to presence of strong spin-orbit coupling and polarized field. Here, we develop a Hamiltonian using…

Materials Science · Physics 2022-02-02 Mayank Gupta , B. R. K. Nanda

Defect engineering is an effective and powerful tool to control existing material properties and create completely new ones, which are symmetry-forbidden in a defect-free crystal. This letter reports on the creation of piezoelectrically…

In ferroelectrics, complex interactions among various degrees of freedom enable the condensation of topologically protected polarization textures. Known as ferroelectric solitons, these particle-like structures represent a new class of…

Materials Science · Physics 2023-08-02 V. Govinden , P. R. Tong , X. Guo , Q. Zhang , S. Mantri , S. Prokhorenko , Y. Nahas , Y. Wu , L. Bellaiche , H. Tian , Z. Hong , D. Sando , V. Nagarajan

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

The structure and properties of the 1:1 superlattice of LaVO$_{3}$ and SrVO$_{3}$ are investigated with a first-principles density-functional-theory-plus-$U$ (DFT+$U$) method. The lowest energy states are antiferromagnetic charge-ordered…

Materials Science · Physics 2017-03-01 Se Young Park , Anil Kumar , Karin M. Rabe

Exploiting the emerging nanoscale periodicities in epitaxial, single-crystal thin films is an exciting direction in quantum materials science: confinement and periodic distortions induce novel properties. The structural motifs of interest…

It was recently observed that materials showing most striking multiferroic phenomena are frustrated spin-density-wave magnets. We present a simple phenomenological theory, which describes the orientation of the induced electric polarization…

Strongly Correlated Electrons · Physics 2009-11-11 Maxim Mostovoy
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