Title :
Second harmonic spectroscopy of silicon-adsorbate systems: experiment meets theory
Author :
Downer, M.C. ; Ekerdt, J.G. ; Lim, D. ; Parkinson, P. ; Gavrilenko, V.I. ; Wu, R.Q. ; Arzate, N. ; Mendoza, B.S.
Author_Institution :
Texas Univ., Austin, TX, USA
Abstract :
Summary form only given. Second harmonic generation (SHG) provides a surface-specific, noninvasive probe of adsorbates. However, microscopic first principles theory of adsorbate-specific spectroscopic SHG responses has proven elusive. We present experimental SHG spectra for six well-characterized, technologically important Si(001) surfaces in ultrahigh vacuum. Each adsorbate (combination) alters SHG uniquely. Our microscopic theories based on ab initio pseudopotential or semiempirical tight-binding methods then explain observed trends, and predict new features in unexplored spectral regions. Charge transfer among surface bonds is found to govern SHG spectroscopy of surface-adsorbate systems strongly.
Keywords :
ab initio calculations; adsorption; elemental semiconductors; infrared spectra; optical harmonic generation; pseudopotential methods; silicon; surface states; tight-binding calculations; B; Ge; H; SHG response; Si; ab initio pseudopotential method; adsorbate-specific response; charge transfer; microscopic first principles theory; second harmonic spectroscopy; semiempirical tight-binding method; silicon-adsorbate systems; surface bonds; ultrahigh vacuum; Charge transfer; Microscopy; Optimized production technology; Spectroscopy;
Conference_Titel :
Quantum Electronics and Laser Science Conference, 2000. (QELS 2000). Technical Digest
Conference_Location :
San Francisco, CA, USA
Print_ISBN :
1-55752-608-7
