First-principles mobility calculations and atomic-scale interface roughness in nanoscale structures.
Calculations of mobilities have so far been carried out using approximate methods that suppress atomic-scale detail. Such approaches break down in nanoscale structures. Here we report the development of a method to calculate mobilities using atomic-scale models of the structures and density functional theory at various levels of sophistication and accuracy. The method is used to calculate the effect of atomic-scale roughness on electron mobilities in ultrathin double-gate silicon-on-insulator structures. The results elucidate the origin of the significant reduction in mobility observed in ultrathin structures at low electron densities.
Evans
M H
MH
Department of Physics, Massachusetts Institute of Technology, Cambridge, 02139, USA.
Zhang
X-G
XG
Joannopoulos
J D
JD
Pantelides
S T
ST