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We study the dependence of macroscopic polarization on composition and strain in wurtzite III-V nitride ternary alloys using ab initio density-functional techniques. The spontaneous polarization is characterized by a large bowing, strongly…

Materials Science · Physics 2009-11-07 Fabio Bernardini , Vincenzo Fiorentini

Heterogeneous nucleation from defects dominates the electric field required for polarization switching of ferroelectrics. Here, we consider the switching of a nominally non-switchable polar thin film of AlN due to the proximity effect…

The origin of the anomalous, 400% increase of the piezoelectric coefficient in Sc$_x$Al$_{1-x}$N alloys is revealed. Quantum mechanical calculations show that the effect is intrinsic. It comes from a strong change in the response of the…

Ferroelectric switching is unambigiously demonstrated for the first time in a III-V semiconductor based material: AlScN -- A discovery which could help to satisfy the urgent demand for thin film ferroelectrics with high performance and good…

Materials Science · Physics 2019-03-27 Simon Fichtner , Niklas Wolff , Fabian Lofink , Lorenz Kienle , Bernhard Wagner

Proximity ferroelectricity is a novel paradigm for inducing ferroelectricity in a non-ferroelectric polar material such as AlN or ZnO that are typically unswitchable with an external field below their dielectric breakdown field. When placed…

The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry phase approach to polarization in solids. The piezoelectric constants are found…

Materials Science · Physics 2009-10-30 Fabio Bernardini , Vincenzo Fiorentini , David Vanderbilt

Polarization dynamics and domain structure evolution in ferroelectric Al$_{0.93}$B$_{0.07}$N are studied using piezoresponse force microscopy and spectroscopies in ambient and controlled atmosphere environments. The application of negative…

Aluminum nitride (AlN) is an important piezoelectric material for a wide range of applications, many efforts are devoted to improving its piezoelectric response by alloying with transition metals (TMs). In this paper, the influence of the…

Materials Science · Physics 2022-11-16 Xian-Hu Zha , Xiufang Ma , Jing-Ting Luo , Chen Fu

Proximity ferroelectricity has recently been reported as a new design paradigm for inducing ferroelectricity, where a non-ferroelectric polar material becomes a ferroelectric by interfacing with a thin ferroelectric layer. Strongly polar…

The spontaneous and piezoelectric polarizations of III-nitrides considerably affect the operation of various III-nitride-based devices. We report an ab initio study of the spontaneous polarization (SP) and piezoelectric (PZ) constants of…

Applied Physics · Physics 2020-01-14 Kaikai Liu , Xiaohang Li

The incorporation of rare-earth elements in wurtzite nitride semiconductors, e.g., scandium alloyed aluminum nitride (ScAlN), promises dramatically enhanced piezoelectric responses, critical to a broad range of acoustic, electronic,…

A new study explores the distinct roles of spontaneous polarization and piezoelectric polarization in piezo-phototronic coupling. This investigation focuses on differences in photocatalytic and piezo-photocatalytic performance using sodium…

Presently, the piezoelectric materials are finding tremendous applications in the micro-mechanical actuators, sensors and self-powered devices. In this context, the studies pertaining to piezoelectric properties of materials in the…

Materials Science · Physics 2016-05-12 A. K. Sivadasan , G. Mangamma , S. Bera , M. Kamruddin , S. Dhara

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

Fundamental properties of spontaneous and piezo polarization are reformulated and critically reviewed. It was demonstrated that Landau definition of polarization as a dipole density could be used to the infinite systems. The difference…

Since AlN has emerged as an important piezoelectric material for a wide variety of applications, efforts have been made to increase its piezoelectric response via alloying with transition metals that can substitute for Al in the wurtzite…

Wurtzite ferroelectrics such as scandium-doped aluminum nitride (AlScN) are promising for next-generation memory because of their compatibility with semiconductor processes and strong spontaneous polarization. Ferroelectric switching in…

Materials Science · Physics 2026-04-29 Changming Ke , Shi Liu

Conversion of mechanical forces to electric signal is possible in non-centrosymmetric materials due to linear piezoelectricity. The extraordinary mechanical properties of two-dimensional materials and their high crystallinity make them…

Materials Science · Physics 2018-07-11 Habib Rostami , Francisco Guinea , Marco Polini , Rafael Roldán

We resolve the microscopic mechanism of polarization switching in wurtzite ferroelectric AlScN by integrating advanced thin-film fabrication, ferroelectric switching dynamics characterizations, high-resolution scanning transmission electron…

Materials Science · Physics 2025-08-26 Jiawei Huang , Jinyang Li , Xinyue Guo , Tongqi Wen , David J. Srolovitz , Zhen Chen , Zuhuang Chen , Shi Liu

Recent advances in microelectromechanical systems often require multifunctional materials, which are designed so as to optimize more than one property. Using density functional theory calculations for alloyed nitride systems, we illustrate…

Materials Science · Physics 2017-10-10 Sukriti Manna , Geoff L. Brennecka , Vladan Stevanović , Cristian V. Ciobanu
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