title: Ab initio electronic properties of dual phosphorus monolayers in silicon.
abstract: 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.
authors.affiliation: Theoretical Chemical and Quantum Physics, School of Applied Sciences, RMIT University, Melbourne, VIC 3001, Australia ; School of Physics, The University of Melbourne, Parkville, VIC 3010, Australia.
authors.forename: Daniel W
authors.initials: DW
authors.lastname: Drumm
authors.affiliation: Theoretical Chemical and Quantum Physics, School of Applied Sciences, RMIT University, Melbourne, VIC 3001, Australia ; CSIRO Virtual Nanoscience Laboratory, 343 Royal Parade, Parkville, VIC 3052, Australia.
authors.forename: Manolo C
authors.initials: MC
authors.lastname: Per
authors.affiliation: School of Physics, The University of Melbourne, Parkville, VIC 3010, Australia ; Now at NanoGeoScience, Nano-Science Centre, University of Copenhagen, Universitetsparken 5, København Ø 2100, Denmark.
authors.forename: Akin
authors.initials: A
authors.lastname: Budi
authors.affiliation: School of Physics, The University of Melbourne, Parkville, VIC 3010, Australia.
authors.forename: Lloyd Cl
authors.initials: LC
authors.lastname: Hollenberg
authors.affiliation: Theoretical Chemical and Quantum Physics, School of Applied Sciences, RMIT University, Melbourne, VIC 3001, Australia.
authors.forename: Salvy P
authors.initials: SP
authors.lastname: Russo
keywords: Ab initio; Bilayers; Density functional theory; Phosphorus in silicon