A Study of Temperature-dependent Properties of N-type d-doped Si Band-structures in Equilibrium

A highly phosphorus δ-doped Si device is modeled with a quantum well with periodic boundary conditions and the semi-empirical spds* tight-binding band model. Its temperature-dependent electronic properties are studied. To account for high doping density with many electrons, a highly parallelized self-consistent Schrodinger-Poisson solver is used with atomistic representations of multiple impurity ions. The band-structure in equilibrium and the corresponding Fermi-level position are computed for a selective set of temperatures. The result at room temperature is compared with previous studies and the temperature-dependent electronic properties are discussed further in detail with the calculated 3-D self-consistent potential profile.