相关论文: Macroscopic polarization and band offsets at nitri…
Huge built-in electric fields are 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. We discuss the…
The strain induced by lattice mismatch at the interface is responsible for the different value of the band discontinuities observed recently for the AlN/GaN (AlN on GaN) and the GaN/AlN (GaN on AlN) polar (0001) interface. We present a…
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…
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…
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…
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…
Rocksalt ScN is a semiconductor with a small lattice mismatch to wurtzite GaN. Within the modern theory of polarization, ScN has a nonvanishing formal polarization along the [111] direction. As a result, we demonstrate that an interface…
Nitrogen-polar III-nitride heterostructures offer advantages over metal-polar structures in high frequency and high power applications. However, polarity control in III-nitrides is difficult to achieve as a result of unintentional polarity…
An undoped AlGaN/GaN nanowire demonstrated p-type conductivity based solely on the formation of hole carriers in response to the negative polarization field at the (000-1) AlGaN/GaN facet. A transistor based on this nanowire displayed a…
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…
Relaxations at nonpolar surfaces of III-V compounds result from a competition between dehybridization and charge transfer. First principles calculations for the (110) and (10$\bar{1}$0) faces of zincblende and wurtzite AlN, GaN and InN…
We present ab-initio studies of band offsets, formation energy, and stability of (100) heterojunctions between (Zn,Be)(Se,Te) zincblende compounds, and in particular of the lattice-matched BeTe/ZnSe interface. Equal band offsets are found…
Binary ferroelectric nitrides are promising materials for information technologies and power electronics. However, polarization switching in these materials is highly unusual. From the structural perspective, polarization reversal is…
The behaviour of the cross-sectional polarization field is explored for thin nanowires of barium titanate from first-principles calculations. Topological defects of different winding numbers have been obtained, beyond the known textures in…
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…
The integration of ferroelectric nitride thin films such as Al1-xScxN onto GaN templates could enable enhanced functionality in novel high-power transistors and memory devices. This requires a detailed understanding of the ferroelectric…
The discovery of wurtzite ferroelectrics opens new frontiers in polar materials, yet their behavior at cryogenic temperatures remains unexplored. Here, we reveal unprecedented ferroelectric properties in ultrathin (10 nm)…
We present a study of the polarization properties of emission lines from single InGaN/GaN quantum dots (QDs). The QDs, formed by spinodal decomposition within ultra-thin InGaN quantum wells, are investigated using single-QD…
We perform a first principles investigation of Si/ZnS interface properties for the [111], [100], and [110] directions, including single-substitution polar-compensated interfaces. The asymmetry of general interface directions poses known…
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…