Atomic processes at bonded Si-interfaces studied by molecular dynamics: tayloring densities and bandgaps?

Scheerschmidt, K.; Conrad, D.; Belov, A. Yu.

doi:10.1016/s0927-0256(02)00162-3

Cited by 4 publications

References 28 publications

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Carbon at Si(111)‐twins: TEM analysis supported by molecular dynamics structure relaxations

Scheerschmidt

Werner

2005

Physica Status Solidi (a)

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Carbon supersaturation and high density of twin lamellae influence the physical properties of multi‐crystalline silicon and restrict its applicability as a material in photovoltaics. To understand, e.g., the resulting structural modifications and the stress relief, the carbon incorporation in silicon has to be investigated by total energy minimizations using molecular dynamics simulations either at ab‐initio level or applying classical methods with empirical potentials. The relaxed structure models support the interpretation of transmission electron micrographs by contrast simulations and thus the analysis of carbon incorporation at twins or elsewhere in silicon. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Carbon at Si(111)‐twins: TEM analysis supported by molecular dynamics structure relaxations

Scheerschmidt

Werner

2005

Physica Status Solidi (a)

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Empirical Molecular Dynamics: Possibilities, Requirements, and Limitations

Scheerschmidt

Planck²

Topics in Applied Physics

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Creating a single twin boundary between two CdTe (111) wafers with controlled rotation angle by wafer bonding

Sun

Lü

Wang

et al. 2013

Applied Physics Letters

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The single twin boundary with crystallographic orientation relationship (1¯1¯1¯)//(111) [01¯1]//[011¯] was created by wafer bonding. Electron diffraction patterns and high-resolution transmission electron microscopy images demonstrated the well control of the rotation angle between the bonded pair. At the twin boundary, one unit of wurtzite structure was found between two zinc-blende matrices. High-angle annular dark-field scanning transmission electron microscopy images showed Cd- and Te-terminated for the two bonded portions, respectively. The I-V curve across the twin boundary showed increasingly nonlinear behavior, indicating a potential barrier at the bonded twin boundary.

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Atomic processes at bonded Si-interfaces studied by molecular dynamics: tayloring densities and bandgaps?

Cited by 4 publications

References 28 publications

Carbon at Si(111)‐twins: TEM analysis supported by molecular dynamics structure relaxations

Carbon at Si(111)‐twins: TEM analysis supported by molecular dynamics structure relaxations

Empirical Molecular Dynamics: Possibilities, Requirements, and Limitations

Creating a single twin boundary between two CdTe (111) wafers with controlled rotation angle by wafer bonding

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