Related papers: Effect of Piezoelectric Polarization on Phonon Rel…
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…
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…
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…
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…
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…
The relaxation process of electron spin in systems of electrons interacting with piezoelectric deformation phonons that are mediated through spin-orbit interactions was interpreted from a microscopic point of view using the formula for the…
In ferroelectric materials, an electric field has been shown to change the phonon dispersion sufficiently to alter the lattice thermal conductivity, opening the possibility that a heat gradient could drive a polarization flux, and…
We report first principles density functional calculations of the spontaneous polarizations, piezoelectric constants and elastic constants for the II-VI wurtzite structure ZnO, MgO and CdO. Using our self interaction corrected…
Recent studies suggest that piezoelectric polarization can play an important role in determining the electronic and optical properties of nanoscale nitride heterostructures. Among a few models available, recent first-principles calculations…
Polaron binding energy and effective mass are calculated for semiconductors with wurtzite crystalline structure from the first order electron-phonon corrections to the self-energy. A recently introduced Frohlich-like electron-phonon…
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…
Relaxor ferroelectric perovskites are highly polarizable and can exhibit giant coupling between elastic strain and an applied electric field. Here, we report an in situ extended X-ray absorption fine structure (EXAFS) study of a…
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…
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…
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…
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,…
Neutron elastic diffuse scattering experiments performed on Pb(Zn1/3Nb2/3)O3 (PZN) and on its solid solution with PbTiO3(PT), known as PZN-xPT, with x=4.5% and 9% around many reflections show that diffuse scattering is observed around…
We investigate the effect of basal-plane stacking faults on the structural, electronic, and polarization properties of wurtzite GaN and ZnO. This theoretical study is performed within density-functional theory (DFT) using periodic hexagonal…
We utilize classical molecular dynamics to study surface effects on the piezoelectric properties of ZnO nanowires as calculated under uniaxial loading. An important point to our work is that we have utilized two types of surface treatments,…
A thorough understanding of electrical and thermal transport properties of group-III nitride semiconductors is essential for their electronic and thermoelectric applications. Despite extensive previous studies, these transport properties…