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相关论文: Polarization properties of wurtzite III nitride in…

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The role of spontaneous and piezoelectric polarization in III-V nitride heterostructure devices is discussed. Problems as well as opportunities in incorporating polarization in abrupt and graded heterojunctions composed of binary, ternary,…

Accurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in…

材料科学 · 物理学 2018-04-17 Cyrus E. Dreyer , Anderson Janotti , Chris G. Van de Walle , David Vanderbilt

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…

材料科学 · 物理学 2009-11-07 Fabio Bernardini , Vincenzo Fiorentini

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…

材料科学 · 物理学 2009-10-30 Fabio Bernardini , Vincenzo Fiorentini , David Vanderbilt

The spontaneous polarization of wurtzite III-V nitrides XN (X=Al, Ga, In) and II-VI oxides YO (Y=Be, Zn) is investigated via first-principles computational methods. The modern treatment defines this quantity as the polarization difference…

The discovery of ferroelectricity in wurtzite nitrides has paved the way for measuring and understanding spontaneous polarization in III-V semiconductors. However, the calculation of polarization effects at heterointerfaces - crucial for…

材料科学 · 物理学 2025-05-27 Jesus Cañas , Mohamed Yassine , Oliver Ambacher

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…

材料科学 · 物理学 2009-12-16 S. M. Nakhmanson , A. Calzolari , V. Meunier , J. Bernholc , M. Buongiorno-Nardelli

The wurtzite structure is one of the most frequently found crystal structures in modern semiconductors and its inherent spontaneous polarization is a defining materials property. Despite this significance, confusion has been rampant in the…

材料科学 · 物理学 2025-05-07 Simon Fichtner , Mohamed Yassine , Chris van de Walle , Oliver Ambacher

Macroscopic polarization plays a major role in determining the optical and electrical properties of nitride nanostructures via polarization-induced built-in electrostatic fields. While currently fashionable, this field of endeavour is still…

材料科学 · 物理学 2015-06-25 Fabio Bernardini , Vincenzo Fiorentini

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…

Huge built-in electric fields have been predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the macroscopic bulk polarization of the nitrides. Here we…

材料科学 · 物理学 2009-10-31 V. Fiorentini , F. Bernardini , F. Della Sala , A. Di Carlo , P. Lugli

The piezoelectric (PZ) polarization effect enhances the phonon group velocity in wurtzite nitrides. This enhancement influences the phonon relaxation rates. We calculate the modified phonon relaxation rates in binary wurtzite nitrides (GaN,…

材料科学 · 物理学 2015-05-30 Bijay Kumar Sahoo

We present a theory of local electric polarization in crystalline solids and apply it to study the case of wurtzite group-III nitrides. We show that a local value of the electric polarization, evaluated at the atomic sites, can be cast in…

材料科学 · 物理学 2013-12-06 Miguel A. Caro , Stefan Schulz , Eoin P. O'Reilly

Huge built-in electric fields have been predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the macroscopic bulk polarization of the nitrides. Here we…

材料科学 · 物理学 2007-05-23 V. Fiorentini , F. Bernardini , F. Della Sala , A. DiCarlo , P. Lugli

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…

材料科学 · 物理学 2016-05-12 A. K. Sivadasan , G. Mangamma , S. Bera , M. Kamruddin , S. Dhara

Modern polarization theory yields surface bound charge associated with spontaneous polarization of bulk. However, understanding polarization in nano systems also requires a proper treatment of charge transfer between surface dangling bonds.…

材料科学 · 物理学 2021-09-01 Ke Yang , Zeyu Jiang , Duk-Hyun Choe , Damien West , Shengbai Zhang

Aluminum nitride is piezoelectric and exhibits spontaneous polarization along the $c$-axis, but the polarization cannot be switched by applying an electric field. Adding Sc to AlN enhances the piezoelectric properties, and can make the…

材料科学 · 物理学 2021-11-16 Haochen Wang , Nicholas Adamski , Sai Mu , Chris G. Van de Walle

Macroscopic polarization, both of intrinsic and piezoelectric nature, is unusually strong in III-V nitrides, and the built in electric fields in the layers of nitride-based nanostructures, stemming from polarization changes at…

材料科学 · 物理学 2009-10-31 Fabio Bernardini , Vincenzo Fiorentini

We have investigated the effect of piezoelectric (PZ) polarization property on group velocity of phonons in binary as well as in ternary wurtzite nitrides. It is found that with the presence of PZ polarization property, the phonon group…

材料科学 · 物理学 2011-11-01 Bijaya Kumar Sahoo

A study of the mobility of n-doped wurtzite III-Nitrides is reported. We have determined the nonequilibrium thermodynamic state of the III-Nitrides systems, driven far away from equilibrium by a strong electric field, in the steady state,…

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