Ab initio electronic properties of dual phosphorus monolayers in silicon

Table 3 Model properties and prediction of disordered splittings

Separation	VS (meV)	VS (meV)	ILS (Γ, meV)
(ML)	(*ord*-δδ, avg.)	(*dis*-δδ, est.)	(*ord*-δδ, avg.)
80	119	81	0
60	119	81	0
40	119	81	0
16	117	80	9
8	142	97	83
4	309^a	211^a	81^a

The valley splittings are calculated as the average difference between the lower (or upper) of each pair of bands (type 2 from Table1), whilst the interlayer splittings (ILS) are calculated as the average difference between the lower (or upper) pair of bands (type 1 from Table1). ^aThese values are likely considerably erroneous due to the crossing of bands in some alignments confusing the averaging of VS and ILS, and the vast effect alignment has at this low separation.