From micro to molecular electronics: a first-principles approach
M. Gian-Marco RIGNANESE
Abstract
From the cellular phone to the personal digital assistant, miniaturization is omnipresent in our everyday life. Typical electronic components are now reaching dimensions smaller than 10 nm: we have entered the nanoelectronics era. Understanding the interfaces of materials of very different nature has become more and more a critical issue. Indeed, the components are based on the coupling of semiconductors, metals, superconductors, magnetic materials, dielectrics, organic molecules, or biological systems. 
　  In this respect, nanoelectronics can greatly benefit from computer simulation techniques and more particularly from first-principles calculations. In this lecture, I will present a few recent results about materials for electronics obtained using Density Functional Theory and Many-Body Perturbation Theory. On the one hand, I will discuss the band offsets and the defect levels at various interfaces. On the other hand, I will show some quantum transport calculations on molecular devices.
 
 
Time: Apr. 25th, 2012 (Wednesday) 10:00am
Place: IOP D-210 Conference Room
Contact: Ying Deng 82649414