Study of Si(0 0 1)4 × 2-Ga structure by scanning tunneling microscopy and ab initio calculation

Shinsuke Hara; Hidekazu Kobayashi; Katsumi Irokawa; Hiroki I. Fujishiro; Kazuyuki Watanabe; Hirofumi Miki; Akira Kawazu

doi:10.1016/j.susc.2007.04.008

Study of Si(0 0 1)4 × 2-Ga structure by scanning tunneling microscopy and ab initio calculation

Shinsuke Hara, Hidekazu Kobayashi, Katsumi Irokawa, Hiroki I. Fujishiro, Kazuyuki Watanabe, Hirofumi Miki, Akira Kawazu

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

We have studied Si(0 0 1)-Ga surface structures formed at Ga coverages of slightly above 0.50 monolayer (ML) at 250 °C by scanning tunneling microscopy (STM). 4 × 2-, 5 × 2-, and 6 × 2-Ga structures were observed in a local area on the surface. The 4 × 2-Ga structure consists of three protrusions, as observed in filled- and empty-state STM images. The characters of these structures are clearly different from those of other Si(0 0 1)-Ga structures. We also performed an ab initio calculation of the energetics for several possible models for the 4 × 2-Ga structure, and clarified that the three-orthogonal-Ga-dimer model is the most stable. Also, the results of comparing the simulated STM images and observation images at various bias voltages indicate that this structural model is the most favorable.

Original language	English
Pages (from-to)	2415-2419
Number of pages	5
Journal	Surface Science
Volume	601
Issue number	12
DOIs	https://doi.org/10.1016/j.susc.2007.04.008
Publication status	Published - 15 Jun 2007

Keywords

Density functional calculations
Gallium
Scanning tunneling microscopy
Silicon
Surface structure, morphology, roughness, and topography

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10.1016/j.susc.2007.04.008

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@article{d018112fd81f40bb84d908e534b7d613,

title = "Study of Si(0 0 1)4 × 2-Ga structure by scanning tunneling microscopy and ab initio calculation",

abstract = "We have studied Si(0 0 1)-Ga surface structures formed at Ga coverages of slightly above 0.50 monolayer (ML) at 250 °C by scanning tunneling microscopy (STM). 4 × 2-, 5 × 2-, and 6 × 2-Ga structures were observed in a local area on the surface. The 4 × 2-Ga structure consists of three protrusions, as observed in filled- and empty-state STM images. The characters of these structures are clearly different from those of other Si(0 0 1)-Ga structures. We also performed an ab initio calculation of the energetics for several possible models for the 4 × 2-Ga structure, and clarified that the three-orthogonal-Ga-dimer model is the most stable. Also, the results of comparing the simulated STM images and observation images at various bias voltages indicate that this structural model is the most favorable.",

keywords = "Density functional calculations, Gallium, Scanning tunneling microscopy, Silicon, Surface structure, morphology, roughness, and topography",

author = "Shinsuke Hara and Hidekazu Kobayashi and Katsumi Irokawa and Fujishiro, \{Hiroki I.\} and Kazuyuki Watanabe and Hirofumi Miki and Akira Kawazu",

year = "2007",

month = jun,

day = "15",

doi = "10.1016/j.susc.2007.04.008",

language = "English",

volume = "601",

pages = "2415--2419",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier B.V.",

number = "12",

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TY - JOUR

T1 - Study of Si(0 0 1)4 × 2-Ga structure by scanning tunneling microscopy and ab initio calculation

AU - Hara, Shinsuke

AU - Kobayashi, Hidekazu

AU - Irokawa, Katsumi

AU - Fujishiro, Hiroki I.

AU - Watanabe, Kazuyuki

AU - Miki, Hirofumi

AU - Kawazu, Akira

PY - 2007/6/15

Y1 - 2007/6/15

N2 - We have studied Si(0 0 1)-Ga surface structures formed at Ga coverages of slightly above 0.50 monolayer (ML) at 250 °C by scanning tunneling microscopy (STM). 4 × 2-, 5 × 2-, and 6 × 2-Ga structures were observed in a local area on the surface. The 4 × 2-Ga structure consists of three protrusions, as observed in filled- and empty-state STM images. The characters of these structures are clearly different from those of other Si(0 0 1)-Ga structures. We also performed an ab initio calculation of the energetics for several possible models for the 4 × 2-Ga structure, and clarified that the three-orthogonal-Ga-dimer model is the most stable. Also, the results of comparing the simulated STM images and observation images at various bias voltages indicate that this structural model is the most favorable.

AB - We have studied Si(0 0 1)-Ga surface structures formed at Ga coverages of slightly above 0.50 monolayer (ML) at 250 °C by scanning tunneling microscopy (STM). 4 × 2-, 5 × 2-, and 6 × 2-Ga structures were observed in a local area on the surface. The 4 × 2-Ga structure consists of three protrusions, as observed in filled- and empty-state STM images. The characters of these structures are clearly different from those of other Si(0 0 1)-Ga structures. We also performed an ab initio calculation of the energetics for several possible models for the 4 × 2-Ga structure, and clarified that the three-orthogonal-Ga-dimer model is the most stable. Also, the results of comparing the simulated STM images and observation images at various bias voltages indicate that this structural model is the most favorable.

KW - Density functional calculations

KW - Gallium

KW - Scanning tunneling microscopy

KW - Silicon

KW - Surface structure, morphology, roughness, and topography

UR - https://www.scopus.com/pages/publications/34249864416

U2 - 10.1016/j.susc.2007.04.008

DO - 10.1016/j.susc.2007.04.008

M3 - Article

AN - SCOPUS:34249864416

SN - 0039-6028

VL - 601

SP - 2415

EP - 2419

JO - Surface Science

JF - Surface Science

IS - 12

ER -

Study of Si(0 0 1)4 × 2-Ga structure by scanning tunneling microscopy and ab initio calculation

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Keywords

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