Roger Lake

Single and multiband modeling of quantum electron transport through layered semiconductor devices

Non-equilibrium Green function theory is formulated to meet the three main challenges of high bias quantum device modeling: self-consistent charging, incoherent and inelastic scattering, and band structure. The theory is written in a general localized orbital basis using the example of the zinc blende lattice. A Dyson equation treatment of the open system boundaries results in a tunneling formula with a generalized Fisher-Lee form for the transmission coefficient that treats injection from emitter continuum states and emitter quasi-bound states on an equal footing. Scattering is then included. Self-energies which include the effects of polar optical phonons, acoustic phonons, alloy fluctuations, interface roughness, and ionized dopants are derived. Interface roughness is modeled as a layer of alloy in which the cations of a given type cluster into islands. Two different treatments of scattering; self-consistent Born and multiple sequential scattering are formulated, described, and analyzed for numerical t...

Electronic properties of silicon nanowires

The electronic structure and transmission coefficients of Si nanowires are calculated in a sp/sup 3/d/sup 5/s/sup */ model. The effect of wire thickness on the bandgap, conduction valley splitting, hole band splitting, effective masses, and transmission is demonstrated. Results from the sp/sup 3/d/sup 5/s/sup */ model are compared to those from a single-band effective mass model to assess the validity of the single-band effective mass model in narrow Si nanowires. The one-dimensional Brillouin zone of a Si nanowire is direct gap. The conduction band minimum can split into a quartet of energies although often two of the energies are degenerate. Conduction band valley splitting reduces the averaged mobility mass along the axis of the wire, but quantum confinement increases the transverse mass of the conduction band edge. Quantum confinement results in a large increase in the hole masses of the two highest valence bands. A single-band model performs reasonably well at calculating the effective band edges for wires as small as 1.54-nm square. A wire-substrate interface can be viewed as a heterojunction with band offsets resulting in reflection in the transmission.

Room temperature operation of epitaxially grown Si/Si0.5Ge0.5/Si resonant interband tunneling diodes

Resonant interband tunneling diodes on silicon substrates are demonstrated using a Si/Si0.5Ge0.5/Si heterostructure grown by low temperature molecular beam epitaxy which utilized both a central intrinsic spacer and δ-doped injectors. A low substrate temperature of 370 °C was used during growth to ensure a high level of dopant incorporation. A B δ-doping spike lowered the barrier for holes to populate the quantum well at the valence band discontinuity, and an Sb δ-doping reduces the doping requirement of the n-type bulk Si by producing a deep n+ well. Samples studied from the as-grown wafers showed no evidence of negative differential resistance (NDR). The effect of postgrowth rapid thermal annealing temperature was studied on tunnel diode properties. Samples which underwent heat treatment at 700 and 800 °C for 1 min, in contrast, exhibited NDR behavior. The peak-to-valley current ratio (PVCR) and peak current density of the tunnel diodes were found to depend strongly on δ-doping placement and on the annea...

Electronic and thermoelectric properties of few-layer transition metal dichalcogenides

The electronic and thermoelectric properties of one to four monolayers of MoS2, MoSe2, WS2, and WSe2 are calculated. For few layer thicknesses, the near degeneracies of the conduction band K and Σ valleys and the valence band Γ and K valleys enhance the n-type and p-type thermoelectric performance. The interlayer hybridization and energy level splitting determine how the number of modes within kBT of a valley minimum changes with layer thickness. In all cases, the maximum ZT coincides with the greatest near-degeneracy within kBT of the band edge that results in the sharpest turn-on of the density of modes. The thickness at which this maximum occurs is, in general, not a monolayer. The transition from few layers to bulk is discussed. Effective masses, energy gaps, power-factors, and ZT values are tabulated for all materials and layer thicknesses.

Quantitative simulation of a resonant tunneling diode

Quantitative simulation of an InGaAs/InAlAs resonant tunneling diode is obtained by relaxing three of the most widely employed assumptions in the simulation of quantum devices. These are the single band effective mass model (parabolic bands), Thomas-Fermi charge screening, and the Esaki-Tsu 1D integral approximation for current density. The breakdown of each of these assumptions is examined by comparing to the full quantum mechanical calculations of self-consistent quantum charge in a multiband basis explicitly including the transverse momentum.

QUANTUM DEVICE SIMULATION WITH A GENERALIZED TUNNELING FORMULA

We present device simulations based on a generalized tunneling theory. The theory is compatible with standard coherent tunneling approaches and significantly increases the variety of devices that can be simulated. Quasi‐bound and continuum states in the leads are treated on the same footing. Quantum charge self‐consistency is included in the leads and the central device region. We compare the simulated I–V characteristics with the experimental I–V characteristics for two complex quantum device structures and find good agreement.

Physical oxide thickness extraction and verification using quantum mechanical simulation

Physical gate oxide thickness is extracted from TiN gate PMOS and NMOS capacitance voltage measurements using an efficient multi-band Hartree self-consistent Poisson solver. The extracted oxide thicknesses are then used to perform direct tunneling current simulations. Excellent agreement between measured a simulated tunnel current is obtained without the use of adjustable fitting parameters.

Diffusion barrier cladding in Si/SiGe resonant interband tunneling diodes and their patterned growth on PMOS source/drain regions

Si/SiGe resonant interband tunnel diodes (RITDs) employing /spl delta/-doping spikes that demonstrate negative differential resistance (NDR) at room temperature are presented. Efforts have focused on improving the tunnel diode peak-to-valley current ratio (PVCR) figure-of-merit, as well as addressing issues of manufacturability and CMOS integration. Thin SiGe layers sandwiching the B /spl delta/-doping spike used to suppress B out-diffusion are discussed. A room-temperature PVCR of 3.6 was measured with a peak current density of 0.3 kA/cm/sup 2/. Results clearly show that by introducing SiGe layers to clad the B /spl delta/-doping layer, B diffusion is suppressed during post-growth annealing, which raises the thermal budget. A higher RTA temperature appears to be more effective in reducing defects and results in a lower valley current and higher PVCR. RITDs grown by selective area molecular beam epitaxy (MBE) have been realized inside of low-temperature oxide openings, with performance comparable with RITDs grown on bulk substrates.

Transistors and tunnel diodes for analog/mixed-signal circuits and embedded memory

An integrated tunnel diode/transistor process can be used to increase the speed of signal processing circuitry or reduce power at the same speed; in memory applications, tunnel diodes can be used to reduce static power dissipation (>20X in Si, >1000X in III-V materials) relative to conventional approaches. This paper summarizes recent progress in InP and Si-based tunnel diodes and circuits.

Full-band simulation of indirect phonon assisted tunneling in a silicon tunnel diode with delta-doped contacts

Full-band simulations of indirect, phonon assisted, interband tunneling are used to calculate the current–voltage response of a low-temperature molecular-beam-epitaxy-grown silicon tunnel diode with delta-doped contacts. Electron confinement in the contacts results in weak structure in the current–voltage characteristic. The structure is lost when finite lifetime effects are included. The approach uses the nonequilibrium Green function formalism in a second-neighbor sp3s* planar orbital basis.