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In this work, we have performed a comprehensive study of dielectric materials NbOX2 (X=Cl, Br, and I) within the framework of density functional theory, incorporating both conventional and hybrid functionals.Our studies focus on the…

The ferroelectric domain pattern within lithographically defined PbTiO3/SrTiO3 ferroelectric/dielectric heteroepitaxial superlattice nanostructures is strongly influenced by the edges of the structures. Synchrotron x-ray nanobeam…

Mesoscale and Nanoscale Physics · Physics 2020-02-26 J. Park , J. Mangeri , Q. Zhang , M. H. Yusuf , A. Pateras , M. Dawber , M. V. Holt , O. G. Heinonen , S. Nakhmanson , P. G. Evans

Heterostructures of two-dimensional (2D) layered materials with selective compositions play an important role in creating novel functionalities. Effective interface coupling between 2D ferromagnet and electronic materials would enable the…

Materials Science · Physics 2021-12-15 Yilian Xi , Mengting Zhao , Haifeng Feng , Ying Sun , Xingkun Man , Xun Xu , Weichang Hao , Shi Xue Dou , Yi Du

In this review, we first provided a brief overview of cellulose structures, categorizing various types of nanocellulose based on their production methods, and discussed different photonic structures such as cholesteric phases, photonic…

Optics · Physics 2025-04-30 Jonas Rashidi

The bulk piezoelectric response, as measured by the piezoelectric modulus tensor (\textbf{d}), is determined by a combination of charge redistribution due to strain and the amount of strain produced by the application of stress (stiffness).…

Materials Science · Physics 2018-10-29 Sukriti Manna , Prashun Gorai , Geoff L. Brennecka , Cristian V. Ciobanu , Vladan Stevanović

The discoveries of magnetism and ferroelectricity in 2D van der Waals (vdW) materials have brought important functionalities to the 2D materials family, and may trigger a revolution in next generation nanoelectronics and spintronics. In…

Materials Science · Physics 2022-06-17 Chuanshou Wang , Lu You , David Cobden , Junling Wang

A strong coupling between electric polarization and elastic deformation in solids is an important factor in creating useful electromechanical nanodevices. Such coupling is typically allowed in insulating materials with inversion symmetry…

Materials Science · Physics 2024-10-30 Hidefumi Takahashi , Yusuke Kurosaka , Kenta Kimura , Akitoshi Nakano , Shintaro Ishiwata

Two dimensional electron gases (2DEGs) at a oxide heterostructures are attracting considerable attention, as these might substitute conventional semiconductors for novel electronic devices [1]. Here we present a minimal set-up for such a…

Building on recent developments in electronic-structure methods, we define and calculate the flexoelectric response of two-dimensional (2D) materials fully from first principles. In particular, we show that the open-circuit voltage response…

Mesoscale and Nanoscale Physics · Physics 2021-12-01 Matteo Springolo , Miquel Royo , Massimiliano Stengel

Different from the traditional bulk-edge correspondence principle, the discovery of higher-order topological states has generated widespread interest. In a second-order, two-dimensional elastic wave topological insulator, the fluctuation…

Applied Physics · Physics 2023-01-10 Ze Ma , Yang Liu , Yu-Xin Xie , Yue-Sheng Wang

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Materials Science · Physics 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

Using first-principles density functional theory, we study piezoelectricity in short-period superlattices made with combination of ferroelectric and paraelectric components and exhibiting polar discontinuities. We show that piezoelectric…

Computational Physics · Physics 2015-05-19 Hena Das , Umesh V. Waghmare , T. Saha-Dasgupta

A mechanism for orientation of bilayer classical Wigner crystals in a piezoelectric medium is considered. For the GaAs system the piezoelectric correction to the electrostatic interaction between electrons is calculated. It is shown that…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 D. V. Fil

Discovering the physical requirements for meeting the indefinite permittivity in natural material as well as proposing a new natural hyperbolic media offer a possible route to significantly improve our knowledge and ability to confine and…

Materials Science · Physics 2021-01-26 Ali Ebrahimian , Reza Asgari

Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomagnetism, which are attributed to the intrinsic lattice-polar…

Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…

Materials Science · Physics 2022-06-01 Jeffrey D. Cain , Amin Azizi , Matthias Conrad , Sinéad M. Griffin , Alex Zettl

We review existing manifestations and prospects for ferroelectricity in electronically and optically active carbon-based materials. The focus point is the proposal for the electronic ferroelectricity in conjugated polymers from the family…

Materials Science · Physics 2015-12-15 Natasha Kirova , Serguei Brazovskii

Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The…

Materials Science · Physics 2009-12-16 S. M. Nakhmanson , A. Calzolari , V. Meunier , J. Bernholc , M. Buongiorno-Nardelli

Elastic constant C_{11} and piezoelectric stress constant e_{1,11} of two-dimensional (2D) dielectric materials comprising h-BN, 2H MoS2 and other transition metal dichalcogenides (TMDCs) and -dioxides (TMDOs) are calculated using lattice…

Materials Science · Physics 2017-04-05 K. H. Michel , D. Cakır , C. Sevik , F. M. Peeters

The piezoelectric nanomaterial ZnO exhibits an excellent piezoelectric response that can transduce mechanical energy into electrical signals by applying pressure. The piezoelectric behavior of ZnO nanostructures (especially nanorods or…

Applied Physics · Physics 2023-01-24 Rehan Ahmed , Pramod Kumar