Wavefunction engineering refers to the optimized design of quantum semiconductor devices through appropriate localization of carriers in specific regions of the quantum heterostructure. It extends the concept of band-gap engineering of heterostructures by tailoring of optical or transport properties through choice of materials, modulation doping, strain, and external electric or magnetic fields. We propose developing software tools to achieve such design optimization and simulation for quantum wells, wires, and dots using tight-binding and finite element modeling. Our sparse matrix algorithms will be used so that complex structures can be modeled with ease. A very preliminary version of the proposed software has led to the successful wavefunction engineering of quantum inter-band cascade lasers using InAs/ GaSb/AlSb operating at 3-5 microns. A full-featured software will reduce the time for the design, growth, testing & production cycle very substantially. By providing a computational environment for simulation of quantum devices it will permit the exploration of novel electronic mechanisms for semiconductor devices. Anticipated Benefits and
Potential Commercial Applications: By reducing the time involved in conception, simulation, production, the software will substantially accelerate the development of nanostructure devices, with DoD applications in the visible, mid-IR and far-IR for detection & pattern recognition to countermeasures & chemical sensing.
