Related papers: Polarization and polarization induced electric fie…
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…
The recent demonstration of resonant tunneling transport in nitride semiconductors has led to an invigorated effort to harness this quantum transport regime for practical applications. In polar semiconductors, however, the interplay between…
To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular…
We investigate the effect of ferroelectric polarization direction on the geometric properties of Pd deposited on the positive and negative surfaces of LiNbO$_3$ (0001). We predict preferred geometries and diffusion properties of small Pd…
Only a few years have passed since discovery of polar nematics, and now they are becoming the most actively studied liquid crystal materials. Despite numerous breakthrough findings made recently, a theoretical systematization is still…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
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…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
We studied dielectric properties of a polar nematic phase (NF) sandwiched between two gold or ITO electrodes, serving as a cell surfaces. In bulk, NF is expected to exhibit a Goldstone mode (phason), because polarization can uniformly…
A measure of the degree of polarization for the three-dimensional polarization matrix (coherence matrix) of an electromagnetic field is proposed, based on Rayleigh scattering. The degree of polarization, due to dipole scattering of the…
We present the concept and experimental realization of polarization-induced bulk electron doping in III-V nitride semiconductors. By exploiting the large polarization charges in the III-V nitrides, we are able to create wide slabs of high…
We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…
We study the polarization of an electron scattered by different static potentials. The initial state of the electron is chosen as a wavepacket to construct the definite orbital angular momentum, and the final polarization of the electron,…
The injection of spin polarized electrons from ferromagnetic metals (Fe and Co) into gallium nitride (GaN) via scanning tunneling microscopy (STM) is demonstrated. Electrons from STM tips are injected into the semiconductor. Net circular…
Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented by using localized basis sets of reduced size, leaving no…
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive energy vs. volume data for a wide range of possible structures…
The polarization of a material and its response to applied electric and magnetic fields are key solid-state properties with a long history in insulators, although a satisfactory theory required new concepts such as Berry-phase gauge fields.…
The dipole moment of any finite and neutral system, having a square-integrable wavefunction, is a well defined quantity. The same quantity is ill-defined for an extended system, whose wavefunction invariably obeys periodic (Born-von Karman)…
Optical properties of semiconductors can exhibit strong polarization dependence due to crystalline anisotropy. A number of recent experiments have shown that the photoluminescence intensity in free standing nanowires is polarization…
We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analysis of the supercell dependence of the polaron properties…