Ab initio electronic properties of dual phosphorus monolayers in silicon
1 Theoretical Chemical and Quantum Physics, School of Applied Sciences, RMIT University, Melbourne, VIC 3001, Australia
2 School of Physics, The University of Melbourne, Parkville, VIC 3010, Australia
3 CSIRO Virtual Nanoscience Laboratory, 343 Royal Parade, Parkville, VIC 3052, Australia
4 Now at NanoGeoScience, Nano-Science Centre, University of Copenhagen, Universitetsparken 5, København Ø 2100, Denmark
Nanoscale Research Letters 2014, 9:443 doi:10.1186/1556-276X-9-443Published: 28 August 2014
In the midst of the epitaxial circuitry revolution in silicon technology, we look ahead to the next paradigm shift: effective use of the third dimension - in particular, its combination with epitaxial technology. We perform ab initio calculations of atomically thin epitaxial bilayers in silicon, investigating the fundamental electronic properties of monolayer pairs. Quantitative band splittings and the electronic density are presented, along with effects of the layers’ relative alignment and comments on disordered systems, and for the first time, the effective electronic widths of such device components are calculated.