Theoretical and experimental study of tip electronic structures in scanning tunneling microscope

Hee Sung Choi, Min Huang, J. B. Ballard, K. T. He, S. W. Schmucker, J. W. Lyding, J. N. Randall, Kyeongjae Cho

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The atomic and electronic structures of pyramidal model STM tips of transition metals (W, Rh, Pd, Ir and Pt) were investigated using density functional theory (DFT) method. The calculated density of states show that d electrons of the apex atoms in the M4 (M = W, Rh, Pd, Ir, Pt) model tips behave differently near the Fermi level, with the dz2state being dominant only for W tip. The electronic structures of pyramid structures of W and Pd single-atom tips with larger sizes are studied and compared. The density of states of Pd apex atom and W apex atom show different occupation of d-bands leading to asymmetric density of states for Pd tip. The asymmetric tunneling currents measured by W and Pt-Ir STM tips are explained by the calculated electronic structures of W and Pd model tips.

Original languageEnglish (US)
Title of host publicationComputational Nanoscience - How to Exploit Synergy Between Predictive Simulations and Experiment
Pages19-24
Number of pages6
StatePublished - Dec 1 2009
Event2009 MRS Spring Meeting - San Francisco, CA, United States
Duration: Apr 13 2009Apr 17 2009

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1177
ISSN (Print)0272-9172

Other

Other2009 MRS Spring Meeting
CountryUnited States
CitySan Francisco, CA
Period4/13/094/17/09

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ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Choi, H. S., Huang, M., Ballard, J. B., He, K. T., Schmucker, S. W., Lyding, J. W., Randall, J. N., & Cho, K. (2009). Theoretical and experimental study of tip electronic structures in scanning tunneling microscope. In Computational Nanoscience - How to Exploit Synergy Between Predictive Simulations and Experiment (pp. 19-24). (Materials Research Society Symposium Proceedings; Vol. 1177).