Diffusion of a Ga adatom on the GaAs(001)‐c(4×4)‐heterodimer surface: A first principles study

Roehl, J.L.; Aravelli, Sandeep; Khare, S. V.; Phaneuf, R. J.

doi:10.1016/j.susc.2012.04.014

Cited by 13 publications

(11 citation statements)

References 23 publications

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“…However, recently we have succesfully applied the variational approach to the diffusion of a single Ga adatom on the GaAs(001) surface c(4x4) α and β reconstructions [33] using the energy landscapes from Refs. [34] and [35]. It is also possible to solve a problem of correlated particles using our approach.…”

Section: Calculation Of Diffusion Coefficientsmentioning

confidence: 99%

Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces

Mińkowski

Załuska‐Kotur

2015

Surface Science

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Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces is analyzed basing on ab-initio surface potentials. As compared to the simple single adatom jumps that alternate between two states, dimers undergo more complex diffusion process that combines translational and rotational moves. Diffusion coefficients for these processes on both surfaces are calculated and compared with diffusion of single particle. The main parameters of diffusion coefficient: energy barrier and prefactor become temperature dependent when dimer moves jumping between many positions of different values of energy. Small difference in the surface lattice constant for Cu and Ag crystal results in completely different energy landscape for dimer jumps and as an effect different diffusion process. At the same time single adatom diffusion does not change so much

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Section: Calculation Of Diffusion Coefficientsmentioning

confidence: 99%

Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces

Mińkowski

Załuska‐Kotur

2015

Surface Science

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“…1 This is due to their advantageous material properties that can include high electron mobility, narrow direct band gap, and lattice matching with ternary or quaternary III-V compounds. [2][3][4][5][6][7] These properties mean that III-V materials are important for nanoelectronic devices (for example, GaAs or InAs), 2 for lasers (direct band gap materials such as InP), 8 and radiation detectors (indirect band gap materials such as AlAs or AlSb).…”

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confidence: 99%

“…[5][6][7] For the efficient miniaturization of electronic devices, it is important to understand the defects formed during the growth processes and their interaction with dopants. Antisites in III-V semiconductors are of fundamental and technological importance as they have a key role in diffusion properties.…”

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confidence: 99%

Antisites in III-V semiconductors: Density functional theory calculations

Chroneos

Tahini

Schwingenschlögl

et al. 2014

Journal of Applied Physics

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“…Compared to Si, III-V semiconductors have advantageous material properties, including high electron mobility and-most importantly-the ability to lattice match with ternary (and/or quaternary) III-V compounds. [69][70][71][72][73][74] III-V materials have applications in nanoelectronic devices, radiation detectors, lasers, and solar cells. 75 GaAs is the archetypal III-V material that has been thoroughly investigated by the community for numerous years.…”

Section: Introductionmentioning

confidence: 99%

Connecting point defect parameters with bulk properties to describe diffusion in solids

Chroneos

2016

Applied Physics Reviews

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Diffusion is a fundamental process that can have an impact on numerous technological applications, such as nanoelectronics, nuclear materials, fuel cells, and batteries, whereas its understanding is important across scientific fields including materials science and geophysics. In numerous systems, it is difficult to experimentally determine the diffusion properties over a range of temperatures and pressures. This gap can be bridged by the use of thermodynamic models that link point defect parameters to bulk properties, which are more easily accessible. The present review offers a discussion on the applicability of the cBX model, which assumes that the defect Gibbs energy is proportional to the isothermal bulk modulus and the mean volume per atom. This thermodynamic model was first introduced 40 years ago; however, consequent advances in computational modelling and experimental techniques have regenerated the interest of the community in using it to calculate diffusion properties, particularly under extreme conditions. This work examines recent characteristic examples, in which the model has been employed in semiconductor and nuclear materials. Finally, there is a discussion on future directions and systems that will possibly be the focus of studies in the decades to come.

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Diffusion of a Ga adatom on the GaAs(001)‐c(4×4)‐heterodimer surface: A first principles study

Cited by 13 publications

References 23 publications

Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces

Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces

Antisites in III-V semiconductors: Density functional theory calculations

Connecting point defect parameters with bulk properties to describe diffusion in solids

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