Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium

Kocán, Pavel; Krejčí, Ondřej; Tochihara, Hiroshi

doi:10.1116/1.4913199

Title: Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium

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Abstract

The authors have observed anomalous structural evolution of a clean Si(111) surface, which was prepared first by thallium (Tl) deposition on a Si(111)7 × 7 surface, leading to incomplete formation of a Tl/Si(111)1 × 1 structure at 300 °C and subsequent desorption of Tl at 350 °C. Thus prepared clean Si(111) surfaces exhibit structural changes with increase of temperature: 2×1→(√(3)×√(3))R30°→2×1→5×5→7×7, as observed by low-energy electron diffraction and scanning tunneling microscopy. Among the above structures, the (√(3)×√(3))R30° formed at 450–550 °C is found not to be a simple adatom structure. Instead, by means of ab-initio calculations a new metastable (√(3)×√(3))R30° reconstruction was found, having analogous structural features and formation origin to a 2 × 1 reconstruction known as the Pandey chain model. This new (√(3)×√(3))R30° model is 0.09 eV per surface atom less favorable than the 2 × 1 reconstruction. A reason for the anomalous occurrence of the (√(3)×√(3))R30° structure is explored with an aid of Monte Carlo simulations.

Authors:

Kocán, Pavel ^[1]; Krejčí, Ondřej ^[2]; Tochihara, Hiroshi ^[3]

Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 180 00 Prague 8 (Czech Republic)
Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 180 00 Prague 8, Czech Republic and Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, CZ-162 00 Prague (Czech Republic)
Department of Molecular and Material Sciences, Kyushu University, Kasuga, Fukuoka 816-8580, Japan and Department of Electronics Engineering and Computer Science, Fukuoka University, Fukuoka 814-0180 (Japan)

Publication Date:: Sun Mar 15 00:00:00 EDT 2015

OSTI Identifier:: 22392151

Resource Type:: Journal Article

Journal Name:: Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films

Additional Journal Information:: Journal Volume: 33; Journal Issue: 2; Other Information: (c) 2015 American Vacuum Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0734-2101

Country of Publication:: United States

Language:: English

Subject:: 42 ENGINEERING; ATOMS; COMPUTERIZED SIMULATION; DEPOSITION; DESORPTION; ELECTRON DIFFRACTION; MONTE CARLO METHOD; SCANNING TUNNELING MICROSCOPY; SURFACES; THALLIUM

Citation Formats


                    Kocán, Pavel, Krejčí, Ondřej, and Tochihara, Hiroshi. Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium.  United States: N. p., 2015. 
        Web.  doi:10.1116/1.4913199.

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                    Kocán, Pavel, Krejčí, Ondřej, & Tochihara, Hiroshi. Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium.  United States.  https://doi.org/10.1116/1.4913199

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                    Kocán, Pavel, Krejčí, Ondřej, and Tochihara, Hiroshi. 2015.  
        "Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium".  United States.  https://doi.org/10.1116/1.4913199.

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@article{osti_22392151,

  title        = {Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium},

  author       = {Kocán, Pavel and Krejčí, Ondřej and Tochihara, Hiroshi},

  abstractNote = {The authors have observed anomalous structural evolution of a clean Si(111) surface, which was prepared first by thallium (Tl) deposition on a Si(111)7 × 7 surface, leading to incomplete formation of a Tl/Si(111)1 × 1 structure at 300 °C and subsequent desorption of Tl at 350 °C. Thus prepared clean Si(111) surfaces exhibit structural changes with increase of temperature: 2×1→(√(3)×√(3))R30°→2×1→5×5→7×7, as observed by low-energy electron diffraction and scanning tunneling microscopy. Among the above structures, the (√(3)×√(3))R30° formed at 450–550 °C is found not to be a simple adatom structure. Instead, by means of ab-initio calculations a new metastable (√(3)×√(3))R30° reconstruction was found, having analogous structural features and formation origin to a 2 × 1 reconstruction known as the Pandey chain model. This new (√(3)×√(3))R30° model is 0.09 eV per surface atom less favorable than the 2 × 1 reconstruction. A reason for the anomalous occurrence of the (√(3)×√(3))R30° structure is explored with an aid of Monte Carlo simulations.},

  doi          = {10.1116/1.4913199},

  url          = {https://www.osti.gov/biblio/22392151},
  journal      = {Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films},

  issn         = {0734-2101},

  number       = 2,

  volume       = 33,

  place        = {United States},

  year         = {Sun Mar 15 00:00:00 EDT 2015},

  month        = {Sun Mar 15 00:00:00 EDT 2015}

}

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