H. Wende et al., BOND-LENGTH AND ADSORBATE VIBRATIONS OF (2X3)N CU(110) - A SEXAFS STUDY/, Physical review. B, Condensed matter, 54(8), 1996, pp. 5920-5926
Temperature- and angle-dependent surface-extended x-ray-absorption fin
e-structure (SEXAFS) measurements on the system (2X3)N/Cu(110) are rep
orted. Three inequivalent adsorption sites of the N atoms within the s
urface unit cell are identified. The successful separation of their co
ntributions in the present SEXAFS analysis allows for a determination
of N-Cu bond lengths not only within the surface plane but also to the
second Cu layer. The temperature-dependent measurements between 60 an
d 300 K enable us to separate structural from dynamic effects in the S
EXAFS amplitude, leading to a reliable determination of coordination n
umbers. A strong anisotropy is found in the adsorbate vibrations paral
lel versus perpendicular to the surface. The relative motion of the N
atom relative to the first three Cu neighbor shells is characterized b
y means of the corresponding Einstein temperatures. These indicate tha
t the N atom is primarily bonded only to four Cu atoms, and not to fiv
e as previously suggested. Anharmonic corrections are found necessary
for a reliable distance determination of the N-Cu bonds to the second
layer. The structural parameters are compared to the ones predicted by
the pseudo-(100)-c(2X2)-N reconstruction.