Theoretical Analysis for Surface Reconstruction of AlN and InN in the Presence of Hydrogen

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概要

• 論文の詳細を見る

• We have investigated the surface structures of AlN and InN using ab initio calculations based on the density functional theory within generalized gradient approximation. We studied the surface energies obtained from total energy calculations for various ($2\times 2$) geometries of cation-terminated (0001) surfaces and anion-terminated ($000\bar{1}$) surfaces of AlN and InN, with hydrogen in a carrier gas. It was found that the structures with N–H bonds were favorable under hydrogen ambient, while in the absence of hydrogen, the structures with metal adatoms and N adatoms tended to be stable under metal-rich conditions and N-rich conditions, respectively.

• Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
• 2007-08-15

著者

• Koukitu Akinori

  Division of Applied Chemistry, Institute of Symbiotic Science and Technology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan

• Murakami Hisashi

  Division of Applied Chemistry, Institute of Symbiotic Science and Technology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan

• Suzuki Hikari

  Department of Applied Chemistry, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan

• Togashi Rie

  Department of Applied Chemistry, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan

• Kumagai Yoshinao

  Division of Applied Chemistry, Institute of Symbiotic Science and Technology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan

関連論文

• Study of the Decomposition Processes of (0001)AlN in a Hydrogen Atmosphere
• Theoretical Analysis for Surface Reconstruction of AlN and InN in the Presence of Hydrogen
• Two-Step Growth of (0001) ZnO Single-Crystal Layers on (0001) Sapphire Substrates by Halide Vapor Phase Epitaxy
• Effect of High NH
• High-Temperature Heat-Treatment of c-, a-, r-, and m-Plane Sapphire Substrates in Mixed Gases of H
• Effect of High NH₃ Input Partial Pressure on Hydride Vapor Phase Epitaxy of InN Using Nitrided (0001) Sapphire Substrates (Special Issue : Recent Advances in Nitride Semiconductors)

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