Systematic theoretical investigations for contribution of lattice constraint to novel atomic arrangements in alloy semiconductor thin films

T, Ito; Takasu, Naoki; Akiyama, Toru; Nakamura, Kohji

doi:10.1016/j.apsusc.2009.05.067

Cited by 5 publications

(7 citation statements)

References 20 publications

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“…Concerning E GaAsN/sub , Ito et al [20] used empirical interatomic potential calculations and Monte Carlo simulations to calculate the cohesive energy of epitaxially grown GaAs 1 À x N x on substrates of various lattice mismatch. For the growth of GaAs 1-…”

Section: Methodsmentioning

confidence: 99%

Thermodynamic analysis of vapor-phase epitaxial growth of GaAsN on Ge

Kawano¹,

Kangawa²,

T³

et al. 2012

Journal of Crystal Growth

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Section: Methodsmentioning

confidence: 99%

Thermodynamic analysis of vapor-phase epitaxial growth of GaAsN on Ge

Kawano¹,

Kangawa²,

T³

et al. 2012

Journal of Crystal Growth

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“…In the simulation procedure, randomly chosen atoms in the system are exchanged to equilibrate the system at a certain temperature T on the basis of Metropolis algorithm. Details of calculation procedure have been explained elsewhere [12]. In this study, equilibrium atomic arrangements at T = 1000 K are obtained at 20,000 MC steps, where the system energy keeps constant witin 0.27 meV/atom.…”

Section: Methodsmentioning

confidence: 99%

“…Especially, GaN x As 1−x has attracted considerable interests due to the potential application for optoelectronic devices [10]. Previous theoretical studies have revealed that the atomic arrangements of GaN x As 1−x thin films strongly depend on nitrogen composition x and substrate lattice constant [11,12]. In particular, there are correlations between atomic arrangements and surface segregation appearing in alloy semiconductor thin films with large lattice mismatch.…”

Section: Introductionmentioning

confidence: 99%

“…In particular, there are correlations between atomic arrangements and surface segregation appearing in alloy semiconductor thin films with large lattice mismatch. On the other hand, the novel atomic arrangements such as layered segregation or ordered structures have been proposed in GaN x As 1−x thin films on Vgrooved substrate at specific regions [11,12]. However, it is still unclear for the correlation between atomic ordering and layered segregation appearing in alloy semiconductor thin films with large lattice mismatch.…”

Section: Introductionmentioning

confidence: 99%

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Systematic Theoretical Investigations for Atomic Arrangements of GaNxAs1-x Nanowires Surrounded by Semiconductor Templates

Kato

Akiyama

Nakamura

et al. 2014

e-J. Surf. Sci. Nanotechnol.

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The atomic arrangements of zinc blende structured GaNxAs1−x nanowires (NWs) surrounded by semiconductor templates are theoretically investigated using empirical interatomic potentials and Monte Carlo simulations. Our calculations demonstrate that the atomic arrangements of GaNxAs1−x NWs strongly depend on nitrogen composition x and substrate lattice constant a sub. For a certain nitrogen composition and substrate lattice constant, layered segregation is found in GaNxAs1−x NWs surrounded by templates. On the other hand, surface segregation appears on the side facets of freestanding NWs over the wide range of x and a sub. The surface segregation in freestanding NWs originates from the energy difference between Ga-N and Ga-As bonds, which leads to the preference of As atoms at the topmost layer of side facets. These calculated results thus suggest that various novel atomic arrangements in GaNxAs1−x NWs can be realized depending on x and a sub which control degree of lattice constraint.

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“…In our previous studies, the miscibility of GaNAs and InGaN in bulk phase and those in thin films over the entire composition range has been systematically investigated using empirical interatomic potentials [11][12][13][14][15]. Our previous studies have elucidated that the miscibility of GaNAs and InGaN is improved by lattice constraint of substrate.…”

Section: Introductionmentioning

confidence: 99%

Systematic Theoretical Investigations for Miscibility of GaNxAs1-x-yBiy Thin Films

Makihara

Akiyama

Nakamura

et al. 2014

e-J. Surf. Sci. Nanotechnol.

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The atomic arrangements of zinc blende structured GaNxAs1−x−yBiy thin films coherently grown on GaAs(001) substrates are theoretically investigated using empirical interatomic potentials and Monte Carlo simulations. The resultant atomic arrangements of GaNxAs1−x−yBiy strongly depend on N composition x and substrate lattice parameter a sub. It is found that the incorporation of N atoms in GaAsBi results in the formation of layered structures consisting of GaN, GaAs, and GaBi regions. This is because Ga-N interatomic bonds tend to be located around Ga-As interatomic bonds to approach its equilibrium bond length. Furthermore, either GaBi or GaN surface segregation appears to reduce the strain caused by lattice constraint. These results suggest that the miscibility of GaNxAs1−x−yBiy thin films can be controlled by choosing suitable lattice constraint varied by x and a sub that approach the bond length of the equilibrium values for semiconductor material.

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Systematic theoretical investigations for contribution of lattice constraint to novel atomic arrangements in alloy semiconductor thin films

Cited by 5 publications

References 20 publications

Thermodynamic analysis of vapor-phase epitaxial growth of GaAsN on Ge

Thermodynamic analysis of vapor-phase epitaxial growth of GaAsN on Ge

Systematic Theoretical Investigations for Atomic Arrangements of GaN<sub><i>x</i></sub>As<sub>1-<i>x</i></sub> Nanowires Surrounded by Semiconductor Templates

Systematic Theoretical Investigations for Miscibility of GaN<i><sub>x</sub></i>As<sub>1-</sub><i><sub>x-y</sub></i>Bi<i><sub>y </sub></i>Thin Films

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