First-Principles Mobility Calculations and Atomic-Scale Interface Roughness in Nanoscale Structures
- 2 September 2005
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 95 (10) , 106802
- https://doi.org/10.1103/physrevlett.95.106802
Abstract
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.Keywords
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