Linking computational and experimental studies of III-V quantum dots for optoelectronics and photovoltaics

Low-dimensional semiconductors (LDS) are semiconductor structures such as quantum dots, quantum wires, and quantum wells in which electron and hole wave functions are confined due to heterogeneous composition and often strongly affected by mismatch strain. Due to the quantum confinement, LDS exhibit unusual electronic and optical properties not found in bulk semiconductor materials. Quantum dots (QD) have found new applications in various semiconductor devices such as lasers, photodetectors, and solar cells. Precise design of QD structures requires understanding of their chemical composition and nanomechanical properties, and relies on both experimental and computational approaches. In this paper we provide an overview of computational and experimental methods for characterization of QD heterostructures. In particular, we review our own concerted efforts to bring together computation and experiment in order to better explain their optoelectronic and photovoltaic properties.