Ab initio electronic properties of dual phosphorus monolayers in silicon

TY - JOUR

T1 - Ab initio electronic properties of dual phosphorus monolayers in silicon

AU - Drumm, Daniel W.

AU - Per, Manolo C.

AU - Budi, Akin

AU - Hollenberg, Lloyd C.L.

AU - Russo, Salvy P.

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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.

KW - Ab initio

KW - Bilayers

KW - Density functional theory

KW - Phosphorus in silicon

U2 - 10.1186/1556-276X-9-443

DO - 10.1186/1556-276X-9-443

M3 - Journal article

C2 - 25246862

AN - SCOPUS:84908394758

SN - 1931-7573

VL - 9

JO - Nanoscale Research Letters

JF - Nanoscale Research Letters

M1 - 443

ER -