Journal
PHYSICAL REVIEW B
Volume 79, Issue 20, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.201309
Keywords
elemental semiconductors; energy gap; interface states; Monte Carlo methods; organic compounds; semiconductor heterojunctions; semiconductor-insulator boundaries; silicon
Funding
- University of California-Berkeley [0425914]
Ask authors/readers for more resources
An approach is presented for obtaining a highly accurate description of the energy-level alignment at hybrid interfaces, using quantum Monte Carlo calculations to include many-body effects as a correction to the standard single-particle picture. For a representative interface between an organic molecule and an inorganic slab, we illustrate the crucial role of many-body effects for correctly describing the energy-level alignment, leading to qualitatively different optoelectronic properties from the prediction within the single-particle description. Further, the heterojunction behavior as a function of quantum confinement in the slab is predicted to be qualitatively different upon inclusion of many-body effects.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available