Interface roughness effects on transport in tunnel structures

Direct simulations of interface roughness effects on transport properties of tunnel structures are performed using the planar supercell stack method. The method allows for the inclusion of realistic three-dimensional rough interfacial geometries in transport calculations. For double barrier resonant tunneling structures, we used our method to analyze the effect of roughness at each of the four interfaces, and to test for sensitivity of transport properties to island size and height. Our simulations yields the following conclusions: (1) We find that scattering of off-resonance states into on-resonance states provides the dominant contribution to interface roughness assisted tunneling. Analyses of scattering strength sensitivity to interface layer configurations reveals preferential scattering into Delta k parallel to approximate to 2 pi/lambda states, where lambda is the island size. (2) We find that roughness at interfaces adjacent to the quantum well can cause lateral localization of wave functions, which increases with island size and depth. Lateral localization can result in the broadening and shifting of transmission resonances, and the introduction of preferential transmission paths. In structures with wide and tall islands, it is possible to find localization over "islands" as well as localization over "oceans." (3) The leading rough interface is the strongest off-resonance scatterer, while rough interfaces adjacent to quantum well are the strongest on-resonance scatterers. The trailing interface is the weakest scatterer

Modeling Light-Extraction Characteristics of Packaged Light-Emitting Diodes

We employ a Monte Carlo ray-tracing technique to model light-extraction characteristics of light-emitting diodes. By relaxing restrictive assumptions on photon traversal history, our method improves upon available analytical models for estimating light-extraction efficiencies from bare LED chips, and enhances modeling capabilities by realistically treating the various processes which photons can encounter in a packaged LED. Our method is not only capable of calculating extraction efficiencies, but can also provide extensive statistical information on photon extraction processes, and predict LED spatial emission characteristics

Description of bulk inversion asymmetry in the effective-bond-orbital model

We have extended the effective-bond-orbital model (EBOM) method [Y. C. Chang, Phys. Rev. B 37, 8215 (1988)] to include the effects of the bulk inversion asymmetry (BIA) present in zinc blendes. This is accomplished without adding to the number of basis states or extending the range of interaction. We have also investigated a variant form of the EBOM proposed in the original formulation that offers improved zone-center behavior, but may also generate spurious solutions in heterostructure calculations due to poor description of bulk zone-boundary band structure. We offer suggestions for avoiding this problem so that this variant form of EBOM may be used safely. In general, we find that the addition of BIA effects in EBOM results in improved descriptions of zone-center band structure, but also in a loss of accuracy far from the Brillouin-zone center. We illustrate the use of the BIA extension with band-structure calculations for bulk GaSb. We show that the spin splitting predicted by the extended EBOM method for an AlSb/GaSb superlattice is in good agreement with k·p calculations that include BIA effects

Numerical spurious solutions in the effective mass approximation

We have characterized a class of spurious solutions that appears when using the finite difference method to solve the effective mass approximation equations. We find that the behavior of these solutions as predicted by our model shows excellent agreement with numerical results. Using this interpretation we find a set of analytical expressions for conditions that the Luttinger parameters must satisfy to avoid spurious solutions. Finally, we use these conditions to check commonly used sets of parameters for their potential for generating this class of spurious solutions

Study of gossamer superconductivity and antiferromagnetism in the t-J-U model

The d-wave superconductivity (dSC) and antiferromagnetism are analytically studied in a renormalized mean field theory for a two dimensional t-J model plus an on-site repulsive Hubbard interaction $U$. The purpose of introducing the $U$ term is to partially impose the no double occupancy constraint by employing the Gutzwiller approximation. The phase diagrams as functions of doping $\delta$ and $U$ are studied. Using the standard value of $t/J=3.0$ and in the large $U$ limit, we show that the antiferromagnetic (AF) order emerges and coexists with the dSC in the underdoped region below the doping $\delta\sim0.1$. The dSC order parameter increases from zero as the doping increases and reaches a maximum near the optimal doping $\delta\sim0.15$. In the small $U$ limit, only the dSC order survives while the AF order disappears. As $U$ increased to a critical value, the AF order shows up and coexists with the dSC in the underdoped regime. At half filing, the system is in the dSC state for small $U$ and becomes an AF insulator for large $U$. Within the present mean field approach, We show that the ground state energy of the coexistent state is always lower than that of the pure dSC state.Comment: 7 pages, 8 figure

Fluctuations in the transmission properties of a quantum dot with interface roughness and impurities

We examine statistical fluctuations in the transmission properties of quantum dots with interface roughness and neutral impurities. For this purpose we employ a supercell model of quantum transport capable of simulating potential variations in three dimensions. We find that sample to sample variations in interface roughness in a quantum dot waveguide can lead to substantial fluctuations in the n=1 transmission resonance position, width and maximum. We also find that a strongly attractive impurity near the centre of a quantum dot can reduce these fluctuations. Nevertheless, the presence of more than a single impurity can give rise to a complex resonance structure that varies with impurity configuration

Theory of antiferromagnetism in the electron-doped cuprate superconductors

On the basis of the Hubbard model, we present the formulation of antiferromagnetism in electron-doped cuprates using the fluctuation-exchange approach. Taking into account the spin fluctuations in combination with the impurity scattering effect due to the randomly distributed dopant-atoms, we investigate the magnetic properties of the system. It is shown that the antiferromagnetic transition temperature, the onset temperature of the pseudogap formation, the single particle spectral density, and the staggered magnetization obtained by the present approach are in very good agreement with the experimental results. The distribution function in momentum space at very low temperature is observed to differ significantly from that of the Fermi liquid. Also, we find zero-energy peak in the density of states (DOS) of the antiferromagnetic phase. This DOS peak is sharp in the low doping regime, and disappears near the optimal doping where the AF order becomes weak.Comment: 12 pages, 19 figure

Fermi surface evolution in the antiferromagnetic state for the electron-doped t-t'-t''-J model

By use of the slave-boson mean-field approach, we have studied the electron-doped t-t'-t''-J model in the antiferromagnetic (AF) state. It is found that at low doping the Fermi surface (FS) pockets appear around $(\pm\pi,0)$ and $(0,\pm\pi)$, and upon increasing doping the other ones will form around $(\pm{\pi\over 2},\pm{\pi\over 2})$. The evolution of the FS with doping as well as the calculated spectral weight are consistent with the experimental results.Comment: Fig. 4 is updated, to appear in Phys. Rev.