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

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 proceeding › Conference 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 language	English (US)
Title of host publication	Computational Nanoscience - How to Exploit Synergy Between Predictive Simulations and Experiment
Pages	19-24
Number of pages	6
State	Published - 2009
Event	2009 MRS Spring Meeting - San Francisco, CA, United States Duration: Apr 13 2009 → Apr 17 2009

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	1177
ISSN (Print)	0272-9172

Other

Other	2009 MRS Spring Meeting
Country/Territory	United States
City	San Francisco, CA
Period	4/13/09 → 4/17/09

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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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).

Theoretical and experimental study of tip electronic structures in scanning tunneling microscope. / Choi, Hee Sung; Huang, Min; Ballard, J. B. et al.
Computational Nanoscience - How to Exploit Synergy Between Predictive Simulations and Experiment. 2009. p. 19-24 (Materials Research Society Symposium Proceedings; Vol. 1177).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Choi, HS, Huang, M, Ballard, JB, He, KT, Schmucker, SW, Lyding, JW, Randall, JN & 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. Materials Research Society Symposium Proceedings, vol. 1177, pp. 19-24, 2009 MRS Spring Meeting, San Francisco, CA, United States, 4/13/09.

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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.",

author = "Choi, {Hee Sung} and Min Huang and Ballard, {J. B.} and He, {K. T.} and Schmucker, {S. W.} and Lyding, {J. W.} and Randall, {J. N.} and Kyeongjae Cho",

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AU - Choi, Hee Sung

AU - Huang, Min

AU - Ballard, J. B.

AU - He, K. T.

AU - Schmucker, S. W.

AU - Lyding, J. W.

AU - Randall, J. N.

AU - Cho, Kyeongjae

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

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

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