Zq. Huang et al., ANGLE-RESOLVED PHOTOEMISSION EXTENDED FINE-STRUCTURE STUDY OF THE STRUCTURE OF P(2X2)K NI(111)/, Physical review. B, Condensed matter, 47(20), 1993, pp. 13626-13635
Angle-resolved photoemission extended fine structure (ARPEFS) from the
potassium Is core level was measured for the quantitative structural
determination of the p (2 X 2)K/Ni(111) overlayer at 130 K. Our analys
is of the ARPEFS chi(k) curves detected along [111] and [771] showed t
hat the potassium atoms are preferentially adsorbed on the atop sites,
in agreement with a previous low-energy-electron-diffraction (LEED) s
tudy of the same system. The K-Ni bond length is 3.02 +/- 0.01 angstro
m, yielding an effective hard-sphere radius of 1.77 angstrom for potas
sium. The first-to-second-layer spacing of nickel is 1.90 +/- 0.04 ang
strom, a 6.5% contraction from the bulk spacing of 2.03 angstrom. Furt
hermore, the first nickel layer shows neither lateral reconstruction (
0.00 +/- 0.09 angstrom) nor vertical corrugation (0.00 +/- 0.03 angstr
om). A comparison of the structural parameters with those determined f
rom the LEED study is presented. The limitations of Fourier analysis f
or site determination and the importance of comparing ARPEFS experimen
tal data with theoretical simulations in both k space and r space are
also discussed.