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Effect of geometry on stress relaxation in rectangular nanomesas: Multimillion-atom molecular dynamics simulations
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Image of FIG. 1.
FIG. 1.

Schematic of the nanomesa with ⟨100⟩-oriented rectangular base and {101} sidewalls on a GaAs (001) substrate.

Image of FIG. 2.
FIG. 2.

(Color) Vertical atomic displacements of In atoms in the bottom In atomic plane of the InAs overlayer. Different plots correspond to different mesa geometries: (a) A20, (b) B20, and (c) C20 (see Table I for the notation).

Image of FIG. 3.
FIG. 3.

Maximum displacements in the center of the first In atomic plane of the InAs overlayer are shown as a function of the mesa top aspect ratio, for three mesa systems.

Image of FIG. 4.
FIG. 4.

In–In pair distribution functions for three mesa systems with fixed aspect ratios of 1.5 (right column) and 4.0 (left column). The mesa systems are marked according to the specifics of their geometry, as summarized in Table I.

Image of FIG. 5.
FIG. 5.

(Color) The atomically resolved hydrostatic stress distributions, measured in the planes , are shown for six mesa systems with different geometries: (a) A15 ; (b) B15 ; (c) C15 ; (d) A30 ; (e) B30 ; and (f) C30 .


Generic image for table
Table I.

The rectangular mesa sizes in the lateral and directions in angstroms. We assign ID to each mesa dependent on its size (letter) and aspect ratio (number). Letter A is assigned to the smallest mesa with a given aspect ratio, B for the intermediate, and C for the largest. The numbers correspond to the aspect ratio as follows from the data in the table. In each considered case, the mesa has ⟨110⟩-oriented base (see Fig. 1) and {101}-oriented sidewalls. In the table, is the number of atoms, and is the aspect ratio of the rectangular mesa.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of geometry on stress relaxation in InAs∕GaAs rectangular nanomesas: Multimillion-atom molecular dynamics simulations