Surface reconstruction and magnesium incorporation on semipolar<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mtext>GaN</mml:mtext><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>1</mml:mn><mml:mover accent="true"><mml:mn>1</mml:mn><mml:mo stretchy="false">¯</mml:mo></mml:mover><mml:mn>01</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>surfaces

Akiyama, Toru; Ammi, Daisuke; Nakamura, Kohji; T, Ito

doi:10.1103/physrevb.81.245317

Cited by 38 publications

(49 citation statements)

References 36 publications

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“…From theoretical viewpoints, the reconstruction on nonpolar and semipolar surfaces for GaN and InN under the MBE growth conditions (i.e., the surfaces without hydrogen) has been investigated, and several stable structures have been found depending on the growth conditions, such as temperature and pressure [15][16][17][18]. However, during typical vapor-phase epitaxy such as MOPVE, the surface interacts with an H-rich ambient.…”

Section: Introductionmentioning

confidence: 99%

Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation

Akiyama

Yamashita

Nakamura

et al. 2011

Journal of Crystal Growth

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Section: Introductionmentioning

confidence: 99%

Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation

Akiyama

Yamashita

Nakamura

et al. 2011

Journal of Crystal Growth

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“…The power of this approach is not only on understanding the epitaxial growth processes but also on producing fundamental data such as surface phase diagrams as functions of growth conditions. Surface phase diagrams and elemental growth processes have been extensively investigated using similar approach for various semiconductors except InAs and InP such as GaAs [18,41,[103][104][105][106][107][108] and III-Nirides [7][8][9][109][110][111][112][113][114][115][116][117][118][119][120][121][122][123][124][125][126][127][128]. Figure 36 summarizes the calculated surface phase diagrams with different orientations for AlN and GaN under H-rich conditions during MOVPE growth.…”

Section: Discussionmentioning

confidence: 99%

Recent Progress in Computational Materials Science for Semiconductor Epitaxial Growth

Akiyama

2017

Crystals

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Recent progress in computational materials science in the area of semiconductor epitaxial growth is reviewed. Reliable prediction can now be made for a wide range of problems, such as surface reconstructions, adsorption-desorption behavior, and growth processes at realistic growth conditions, using our ab initio-based chemical potential approach incorporating temperature and beam equivalent pressure. Applications are examined by investigating the novel behavior during the hetero-epitaxial growth of InAs on GaAs including strain relaxation and resultant growth mode depending growth orientations such as (111)A and (001). Moreover, nanowire formation is also exemplified for adsorption-desorption behaviors of InP nanowire facets during selective-area growth. An overview of these issues is provided and the latest achievement are presented to illustrate the capability of the theoretical-computational approach by comparing experimental results. These successful applications lead to future prospects for the computational materials design in the fabrication of epitaxially grown semiconductor materials.

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“…These two-coordinated N atoms on the ideal surfaces tend to desorb from surface, resulting in the formation of Al-H bonds. It should be noted that the surface reconstructions on semipolar AlN(1101) surface are quite different from those on GaN(1101) surface [23]. In order to analyze the growth processes on semipolar orientations, we clarify the adsorption behavior of Al adatom on AlN(1102) and AlN(1101) surfaces.…”

Section: Resultsmentioning

confidence: 99%

Systematic Theoretical Investigations on Surface Reconstruction and Adatom Kinetics on AlN Semipolar Surfaces

Takemoto

Akiyama

Nakamura

et al. 2015

e-J. Surf. Sci. Nanotech.

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The surface reconstructions and adatom kinetics on AlN(1102) and AlN(1101) surfaces in the presence of H2 molecules are investigated on the basis of density-functional theory calculations. Our surface phase diagram calculations demonstrate that the H-incorporated surfaces are invariably stable over the wide range of H2 pressure. We find that under the growth condition the adsorption energy of Al adatom on AlN(1102) surface is much larger than that on AlN(1101) surface. Furthermore, we find that the diffusion behavior of Al adatom on AlN(1101) surface is significantly influenced by the presence of hydrogen. These results suggest that impact of hydrogen ambient during the metal-organic vapor-phase epitaxy growth on AlN(1102) surface is quite different from that on AlN(1101) surface.

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Surface reconstruction and magnesium incorporation on semipolarGaN(11¯01)surfaces

Cited by 38 publications

References 36 publications

Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation

Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation

Recent Progress in Computational Materials Science for Semiconductor Epitaxial Growth

Systematic Theoretical Investigations on Surface Reconstruction and Adatom Kinetics on AlN Semipolar Surfaces

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