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We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…

Materials Science · Physics 2009-10-31 Nicola A. Hill , Umesh Waghmare

The role of thermodynamics in continuum mechanics and the derivation of the proper constitutive relations is a discussed subject of Rational Mechanics. The classical literature did not use the accumulated knowledge of thermostatics and was…

Statistical Mechanics · Physics 2020-09-02 Peter Ván

We report experimental and theoretical results on the flexoelectric instability and crossover between flexoelectric domains and electroconvection in a hybrid aligned nematic MBBA under d.c. voltage. At threshold a spatially periodic…

Pattern Formation and Solitons · Physics 2007-05-23 V. A. Delev , A. P. Krekhov , L. Kramer

The interplay of electronic and structural degrees of freedom is a prominent feature of many quantum materials and of particular interest in systems with strong ferroelectric fluctuations, such as SrTiO$_3$ (STO) and KTaO$_3$ (KTO). Both…

We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the…

Materials Science · Physics 2009-11-11 Xianwei Sha , R. E. Cohen

Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic…

Condensed Matter · Physics 2009-10-31 Surajit Sengupta , Peter Nielaba , Madan Rao , K. Binder

Macroscopic descriptions of ferroelectrics have an obvious appeal in terms of efficiency and physical intuition. Their predictive power, however, has often been thwarted by the lack of a systematicp rocedure to extract the relevant…

Materials Science · Physics 2022-06-07 Oswaldo Diéguez , Massimiliano Stengel

Biological membranes undergo noticeable thermal fluctuations at physiological temperatures. When two membranes approach each other, they hinder the out of plane fluctuations of the other. This hindrance leads to an entropic repulsive force…

Soft Condensed Matter · Physics 2021-04-27 Kosar Mozaffari , Fatemeh Ahmadpoor , Pradeep Sharma

Real-world solids, such as rocks, soft tissues, and engineering materials, are often under some form of stress. Most real materials are also, to some degree, anisotropic due to their microstructure, a characteristic often called the…

Classical Physics · Physics 2022-08-09 Soumya Mukherjee , Michel Destrade , Artur L. Gower

Non-conductive materials like rubbers, plastics, ceramics, and even semiconductors have the property of flexoelectricity, which means that they can generate electricity when bent and twisted. However, an irregular shape or a peculiar load…

Applied Physics · Physics 2021-04-07 Mingyuan Zhang , Dongze Yan , Jianxiang Wang , Li-Hua Shao

We present a new first-order approach to strain-engineering of graphene's electronic structure where no continuous displacement field $\mathbf{u}(x,y)$ is required. The approach is valid for negligible curvature. The theory is directly…

Mesoscale and Nanoscale Physics · Physics 2013-10-15 Salvador Barraza-Lopez , Alejandro A. Pacheco Sanjuan , Zhengfei Wang , Mihajlo Vanevic

Dielectric nano-swithes made of the materials that exhibit piezoelectric and/or flexoelectric properties with significant electro-mechanical coupling are considered. In this case, a nonuniform strain field may locally break inversion…

Materials Science · Physics 2010-02-16 M. M. Toropova

As an extension to strain-gradient models of size-dependent plastic behaviour, this work proposes a model for a stress-gradient theory. The model is distinguished from earlier works on the topic by its being embedded in a thermodynamically…

Materials Science · Physics 2020-12-30 B. D. Reddy , P. Steinmann , A. Kergassner

The recent discovery of ferroelectric nematic liquid crystalline phases marks a major breakthrough in soft matter research. An intermediate phase, often observed between the nonpolar and the ferroelectric nematic phase, shows a distinct…

We present in this paper a detailed analysis of the flexoelectric instability of a planar nematic layer in the presence of an alternating electric field (frequency $\omega$), which leads to stripe patterns (flexodomains) in the plane of the…

Soft Condensed Matter · Physics 2015-05-27 Alexei Krekhov , Werner Pesch , Agnes Buka

Static flexoelectric effect in a finite sample of a solid is addressed in terms of phenomenological theory for the case of a thin plate subjected to bending. It has been shown that despite an explicit asymmetry inherent to the bulk…

Materials Science · Physics 2015-05-30 Alexander K. Tagantsev , Alexander S. Yurkov

Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least $\mu$m and $\mu$s, respectively -- rely on a coarse-graining approximation such that only…

Materials Science · Physics 2026-05-12 Mauro Pulzone , Iñigo Robredo-Magro , Jorge Íñiguez-González

Nonequilibrium electron dynamics in solids is an important subject from both fundamental and technological points of view. The recent development of laser technology has enabled us to study ultrafast electron dynamics in the time domain.…

Materials Science · Physics 2020-11-04 Shunsuke A. Sato

We use first principles density functional theory calculations to investigate the effect of biaxial strain in the low-temperature structural and ferroelectric properties of [111]-oriented SrTiO$_3$. We find that [111] biaxial strain,…

Materials Science · Physics 2019-03-27 Sebastian E. Reyes-Lillo , Karin M. Rabe , Jeffrey B. Neaton

A general nonlinear theory for the elasticity of pre-stressed single crystals is presented. Various types of elastic moduli are defined, their importance is determined, and relationships between them are presented. In particular, B moduli…

Materials Science · Physics 2022-01-05 Valery I. Levitas