Two-Dimensional Metallicity with a Large Spin-Orbit Splitting: DFT Calculations of the Atomic, Electronic, and Spin Structures of the Au/Ge(111)- Surface

Table 1

Atomic positions (in Å), as defined in Figure 2, obtained in this study within the LDA and GGA theories and reported in the surface-X-ray-diffraction (XRD, [18]) and low-energy electron-diffraction (LEED, [19]) experiments.

Parameter	LDA	GGA	XRD	LEED
	This study	This study	[18]	[19]
	1.62	1.65	1.63	1.62
	4.07	4.09	4.11	4.07
	4.54	4.54	4.59	4.58
	0.0	0.0	0.0	0.0
	0.44	0.51	0.42	0.51
	2.87	2.99	3.02	2.95
	3.54	3.72	3.79	3.63
	3.78	3.96	3.79	3.87
	6.04	6.26	6.24	6.10
	6.19	6.42	6.24	6.32
	6.96	7.24	7.06	7.06