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In this work, we address the issue of peaking of piezoelectric response at a particular composition in the morphotropic phase boundary (MPB) region of (Pb0.940Sr0.06)(ZrxTi1-x)O3 (PSZT) piezoelectric ceramics. We present results of…

Topological polar textures in ferroelectrics have attracted significant interest for their potential for energy-efficient and high-density data storage and processing. Among these, polar merons and antimerons are predicted in strained and…

For two-dimensional (2D) materials, a pure large out-of-plane piezoelectric response, compatible with the nowadays bottom/top gate technologies, is highly desired. In this work, the piezoelectric properties of penta-graphene (CCC) monolayer…

Materials Science · Physics 2020-03-18 San-Dong Guo

In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…

Condensed Matter · Physics 2009-10-30 G. Vignale , C. A. Ullrich , S. Conti

Defect engineering can improve the linked charge, spin, and lattice behavior of thermoelectric topological insulators. Using density functional theory with spin orbit coupling, we study structural, electronic, optical, thermoelectric,…

Materials Science · Physics 2025-12-15 Muhammad Usman Javed , Sikander Azam , Qaiser Rafiq , Hamdy Khamees Thabet

Robust quantization of particle transport, as in a Thouless pump, is a hallmark of topological quantum systems with externally controlled system parameters. Here we instead propose and analyze a Thouless pump, for fermions in a…

Quantum Physics · Physics 2026-05-11 Julius Bohm , James Anglin , Michael Fleischhauer

Recent studies have shown that a soliton can be {\it fractionally} transported by slowly varying a system parameter over one period in a nonlinear system. This phenomenon is attributed to the nontrivial topology of the corresponding energy…

Pattern Formation and Solitons · Physics 2025-02-11 Yu-Liang Tao , Yongping Zhang , Yong Xu

We prospose a novel heterostructure system consisting of compounds with chemical formula A$_2$Mo$_3$O$_8$ (A, B : Zn,Mg,Cd) that can host a two dimensional electron/hole gas (2DEG/2DHG). We study spontaneous polarization and piezoelectric…

Materials Science · Physics 2019-05-01 Tathagata Biswas , Manish Jain

Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…

Condensed Matter · Physics 2016-08-31 P. Zupanovic , A. Bjelis , S. Barisic

We show that a sliding motion between the two layers of a \moire superlattice induces an electric current and realizes a two-dimensional version of the topological Thouless pump when the Fermi energy lies in one of the minigaps.…

Mesoscale and Nanoscale Physics · Physics 2020-02-05 Yinhan Zhang , Yang Gao , Di Xiao

A desktop experiment has been done to show the nonlinearity in the I-V characteristics of an ion conducting electrochemical micro-system. Its chaotic dynamics is being reported for the first time which has been captured by an electronic…

Chaotic Dynamics · Physics 2015-06-04 Sangeeta Rawat , Barnamala Saha , Awadhesh Prasad , Amita Chandra

Epsilon-Near-Zero materials exhibit a transition in the real part of the dielectric permittivity from positive to negative value as a function of wavelength. Here we study metal-dielectric layered metamaterials in the homogenised regime…

Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited. Here, we explore the infrared, piezoelectric and dielectric properties of inorganic materials by…

In this article we investigate the possibility of generating piezoelectric orbital polarization in graphene-like systems which are deformed periodically. We start with discrete two-level models which depend on control parameters; in this…

Mathematical Physics · Physics 2015-03-13 Giuseppe De Nittis , Max Lein

We use first-principles density-functional total energy and polarization calculations to calculate the piezoelectric tensor at zero temperature for both cubic and simple tetragonal ordered supercells of Pb_3GeTe_4. The largest piezoelectric…

Materials Science · Physics 2009-10-30 Eric Cockayne , Karin M. Rabe

We study a Thouless pump realized with an elastically \textit{deformable quantum dot} whose center of mass follows a non-linear stochastic dynamics. The interplay of noise, non-linear effects, dissipation and interaction with an external…

Mesoscale and Nanoscale Physics · Physics 2015-11-26 C. A. Perroni , F. Romeo , A. Nocera , V. Marigliano Ramaglia , R. Citro , V. Cataudella

Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…

Materials Science · Physics 2017-06-28 D. D. Fan , H. J. Liu , L. Cheng , J. Zhang , P. H. Jiang , J. Wei , J. H. Liang , J. Shi

Materials that can produce large controllable strains are widely used in shape memory devices, actuators and sensors. Great efforts have been made to improve the strain outputs of various material systems. Among them, ferroelastic…

We derive a dielectric-dependent hybrid functional which accurately describes the electronic properties of heterogeneous interfaces and surfaces, as well as those of three- and two-dimensional bulk solids. The functional, which does not…

Materials Science · Physics 2019-07-17 Huihuo Zheng , Marco Govoni , Giulia Galli

Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is…

Materials Science · Physics 2017-03-14 H. Sakai , K. Ikeura , M. S. Bahramy , N. Ogawa , D. Hashizume , J. Fujioka , Y. Tokura , S. Ishiwata