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(Color online) Local bonding of the isolated III-V donor-acceptor pairs in our (Si)5−2 y (AlP) y class compounds. The fundamental Al-P-Si3 building unit is shown as a blue tetrahedron, with its group III atom (top) bonded exclusively to three neighboring group IV atoms in the lattice (faint lines).
(Color online) (Left) (004) reflections for a series of alloys with Si concentrations between 60% and ∼90% indicating a decrease in vertical lattice dimension with increasing Si fraction. (Right) (224) reciprocal space maps of a sample containing 83% Si showing perfect vertical alignment (full coherence) between the film and the substrate.
(Top) XTEM micrograph and diffraction pattern (inset) of a sample containing 82% Si indicating single-phase diamond-like material. (Bottom) High-resolution micrograph showing excellent commensuration between the film and the substrate at the interface.
(Left) Si-Si Raman peak frequency in Si5−2 x (AlP) x alloys. The solid line represents the compositional dependence of the same mode in Si1-x Ge x alloys. The inset shows selected Raman spectra after substrate peak subtraction. (Right) Compositional dependence of the E 1 transition energy in Si5−2 x (AlP) x alloys. The solid line is a quadratic fit to the data, giving a bowing parameter of 1.0 eV. The inset shows the actual ellipsometry data from which the energies were extracted. The second derivatives of the imaginary part of the dielectric function show the E 1 and E 2 transitions.
(Color online) (Top left) Primitive 10-atom cell of Si3AlP containing two fundamental “Al-P-Si3” units. (Bottom) LDA band structure of Si3AlP indicating an indirect band gap of ∼0.6 eV from Γ to a point close to Z along the Z → M line (red arrow in top right panel).
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