# Dresden 2006 – wissenschaftliches Programm

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# HL: Halbleiterphysik

## HL 41: Heterostructures

### HL 41.3: Vortrag

### Donnerstag, 30. März 2006, 11:30–11:45, BEY 154

**Simulated strain-energy minimization in oxygen, SiO**_{2}** and GeO**_{2}** monolayer quantum wells in Si(001)** — •D Quinlan^{1} and R Tsu^{2} — ^{1}Universität Göttingen, IV. Physikalisches Institut, Germany — ^{2}University of North Carolina at Charlotte

We simulate the hypothetical structural feasibility of three quantum wells that could be grown in bulk Si(001). The most basic QW geometry consists of a single monolayer of oxygen forming a set of “bridge bonds” separating two volumes of silicon (i.e. [Si]−O−[Si] in the 001-direction). SiO_{2} or GeO_{2} can be formed by two of these oxygen monolayers enclosing a single layer of germanium or silicon ([Si]−O−*X*−O−[Si], where *X*= Si or Ge). Relaxation of the QW geometry is performed using the Keating model, which defines total strain energy as a summation of contributions based on bond-length and bond-angle deviations from equilibrium values. This yields an atomic structure that defies bulk crystalline silicon symmetry. The result is consistent with knowledge of similar (001)-terminations of crystalline silicon, including clean silicon surface reconstruction and the Si-αSiO_{2} interface, where the new periodicity requires a larger pattern to properly define.

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