Inelastic scattering and carrier capture by defects in semiconductors are the primary causes of hot-electron-mediated degradation of power devices, which holds up their commercial development. At the same time, carrier capture is a major issue in the
performance of solar cells and light-emitting diodes. A theory of nonradiative inelastic scattering by defects, however, is non-existent, while the the- ory for carrier capture by defects has had a long and arduous history. Here we report the construction of a comprehensive theory of inelastic scattering by defects, with carrier capture being a special case. We distinguish between capture under thermal equilibrium conditions and capture under non-equilibrium conditions, e.g., in the presence of electrical current or hot carriers where carriers undergo scattering by defects and are described by a mean free path. In the thermal-equilibrium case, capture is mediated by a non-adiabatic perturbation Hamiltonian, originally identified by Huang and Rhys and by Kubo, which is equal to linear electron-phonon coupling to first order. In the non-equilibrium case, we demonstrate that the primary capture mechanism is within the Born-Oppenheimer approximation, with coupling to the defect potential inducing Franck-Condon electronic transitions, followed by multiphonon dissipation of the transition energy, while the non-adiabatic terms are of secondary importance. We report density-functional-theory calculations of the capture cross section for a prototype defect using the Projector-Augmented-Wave which allows us to employ all-electron wavefunctions. We adopt a Monte Carlo scheme to sample multiphonon configurations and obtain converged results. The theory and the results represent a foundation upon which to build engineering-level models for hot-electron degradation of power devices and the performance of solar cells and light-emitting diodes.
Graphene with high carrier mobility mu is required both for graphene-based electronic devices and for the investigation of the fundamental properties of graphenes Dirac fermions. It is largely accepted that the mobility-limiting factor in graphene is
the Coulomb scattering off of charged impurities that reside either on graphene or in the underlying substrate. This is true both for traditional graphene devices on SiO2 substrates and possibly for the recently reported high-mobility suspended and supported devices. An attractive approach to reduce such scattering is to place graphene in an environment with high static dielectric constant kappa that would effectively screen the electric field due to the impurities. However, experiments so far report only a modest effect of high-kappa environment on mobility. Here, we investigate the effect of the dielectric environment of graphene by studying electrical transport in multi-terminal graphene devices that are suspended in liquids with kappa ranging from 1.9 to 33. For non-polar liquids (kappa <5) we observe a rapid increase of mu with kappa and report a record room-temperature mobility as large as ~60,000 cm2/Vs for graphene devices in anisole (kappa=4.3), while in polar liquids (kappa >18) we observe a drastic drop in mobility. We demonstrate that non-polar liquids enhance mobility by screening charged impurities adsorbed on graphene, while charged ions in polar liquids cause the observed mobility suppression. Furthermore, using molecular dynamics simulation we establish that scattering by out-of-plane flexural phonons, a dominant scattering mechanism in suspended graphene in vacuum at room temperature, is suppressed by the presence of liquids. We expect that our findings may provide avenues to control and reduce carrier scattering in future graphene-based electronic devices.
