Chemical bonding features for faultily stacked interfaces of GaAs{111}

Jun Nakamura; Tetsuya Mishima; Moto Hisa Masui; Mineo Sawayanagi; Sung Pyo Cho; Masayasu Nishizawa; Toyoaki Eguchi; Toshiaki Osaka

doi:10.1116/1.590186

Chemical bonding features for faultily stacked interfaces of GaAs{111}

Jun Nakamura, Tetsuya Mishima, Moto Hisa Masui, Mineo Sawayanagi, Sung Pyo Cho, Masayasu Nishizawa, Toyoaki Eguchi, Toshiaki Osaka

SCI - Physics

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

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Abstract

The electronic states for normally stacked and faultily stacked layers on the GaAs{111} A, B surfaces are calculated by use of the discrete variational X α cluster method and the plane wave nonlocal pseudopotential method. The results show that chemical bondings between atoms are not as ionic in the faultily stacked layer of (111) B as they are in the (111) A case, and that on the (111) A surface more attractive Coulomb interaction energy is gained in the faulty stacking layer than in the normal stacking one. These results explain well the more frequent emergence of in-plane faults in the (111) A surface, which is well known in GaAs{111} A, B growth experiments. The total energy calculations also provide quantitative interpretation of such growth features.

Original language	English
Pages (from-to)	2426-2431
Number of pages	6
Journal	Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
Volume	16
Issue number	4
DOIs	https://doi.org/10.1116/1.590186
Publication status	Published - 1998

ASJC Scopus subject areas

Condensed Matter Physics
Electrical and Electronic Engineering

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title = "Chemical bonding features for faultily stacked interfaces of GaAs{111}",

abstract = "The electronic states for normally stacked and faultily stacked layers on the GaAs{111} A, B surfaces are calculated by use of the discrete variational X α cluster method and the plane wave nonlocal pseudopotential method. The results show that chemical bondings between atoms are not as ionic in the faultily stacked layer of (111) B as they are in the (111) A case, and that on the (111) A surface more attractive Coulomb interaction energy is gained in the faulty stacking layer than in the normal stacking one. These results explain well the more frequent emergence of in-plane faults in the (111) A surface, which is well known in GaAs{111} A, B growth experiments. The total energy calculations also provide quantitative interpretation of such growth features.",

author = "Jun Nakamura and Tetsuya Mishima and Masui, {Moto Hisa} and Mineo Sawayanagi and Cho, {Sung Pyo} and Masayasu Nishizawa and Toyoaki Eguchi and Toshiaki Osaka",

year = "1998",

doi = "10.1116/1.590186",

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T1 - Chemical bonding features for faultily stacked interfaces of GaAs{111}

AU - Nakamura, Jun

AU - Mishima, Tetsuya

AU - Masui, Moto Hisa

AU - Sawayanagi, Mineo

AU - Cho, Sung Pyo

AU - Nishizawa, Masayasu

AU - Eguchi, Toyoaki

AU - Osaka, Toshiaki

PY - 1998

Y1 - 1998

N2 - The electronic states for normally stacked and faultily stacked layers on the GaAs{111} A, B surfaces are calculated by use of the discrete variational X α cluster method and the plane wave nonlocal pseudopotential method. The results show that chemical bondings between atoms are not as ionic in the faultily stacked layer of (111) B as they are in the (111) A case, and that on the (111) A surface more attractive Coulomb interaction energy is gained in the faulty stacking layer than in the normal stacking one. These results explain well the more frequent emergence of in-plane faults in the (111) A surface, which is well known in GaAs{111} A, B growth experiments. The total energy calculations also provide quantitative interpretation of such growth features.

AB - The electronic states for normally stacked and faultily stacked layers on the GaAs{111} A, B surfaces are calculated by use of the discrete variational X α cluster method and the plane wave nonlocal pseudopotential method. The results show that chemical bondings between atoms are not as ionic in the faultily stacked layer of (111) B as they are in the (111) A case, and that on the (111) A surface more attractive Coulomb interaction energy is gained in the faulty stacking layer than in the normal stacking one. These results explain well the more frequent emergence of in-plane faults in the (111) A surface, which is well known in GaAs{111} A, B growth experiments. The total energy calculations also provide quantitative interpretation of such growth features.

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Chemical bonding features for faultily stacked interfaces of GaAs{111}

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