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

Spin-charge separation: From one hole to finite doping

In the presence of nonlocal phase shift effects, a quasiparticle can remain topologically stable even in a spin-charge separation state due to the confinement effect introduced by the phase shifts at finite doping. True deconfinement only happens in the zero-doping limit where a bare hole can lose its integrity and decay into holon and spinon elementary excitations. The Fermi surface structure is completely different in these two cases, from a large band-structure-like one to four Fermi points in one-hole case, and we argue that the so-called underdoped regime actually corresponds to a situation in between.Comment: 4 pages, 2 figures, presented in M2S-HTSC-VI conference (2000

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

Phase String Effect in the t-J Model: General Theory

We reexamine the problem of a hole moving in an antiferromagnetic spin background and find that the injected hole will always pick up a sequence of nontrivial phases from the spin degrees of freedom. Previously unnoticed, such a string-like phase originates from the hidden Marshall signs which are scrambled by the hopping of the hole. We can rigorously show that this phase string is non-repairable at low energy and give a general proof that the spectral weight Z must vanish at the ground-state energy due to the phase string effect. Thus, the quasiparticle description fails here and the quantum interference effect of the phase string dramatically affects the long-distance behavior of the injected hole. We introduce a so-called phase-string formulation of the t-J model for a general number of holes in which the phase string effect can be explicitly tracked. As an example, by applying this new mathematical formulation in one dimension, we reproduce the well-known Luttinger-liquid behaviors of the asymptotic single-electron Green's function and the spin-spin correlation function. We can also use the present phase string theory to justify previously developed spin-charge separation theory in two dimensions, which offers a systematic explanation for the transport and magnetic anomalies in the high-T_c cuprates.Comment: Revtex, 36 pages, no figure, to appear in Phys. Rev. B

Interface Roughness Effects in Ultra-Thin Tunneling Oxides

Advanced MOSFET for ULSI and novel silicon-based devices require the use of ultrathin tunneling oxides where non-uniformity is often present. We report on our theoretical study of how tunneling properties of ultra-thin oxides are affected by roughness at the silicon/oxide interface. The effect of rough interfacial topography is accounted for by using the Planar Supercell Stack Method (PSSM) which can accurately and efficiently compute scattering properties of 3D supercell structures. Our results indicate that while interface roughness effects can be substantial in the direct tunneling regime, they are less important in the Fowler-Nordheim regime