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• W2024456783 endingPage "9789" @default.
• W2024456783 startingPage "9779" @default.
• W2024456783 abstract "For substitutional defects in semiconductors, the lattice distortion and its effect on the vibrational behavior is examined in terms of a simple, but first-principles method. In the tight-binding framework and using a bond-orbital model (BOM), we have evaluated the total energy and the local distortions around ionized shallow donors in III-V compounds. The estimated distortions are found to be in good qualitative agreement with the extended x-ray-absorption fine structure measurements of Se-doped ${mathrm{Al}}_{mathrm{x}}$${mathrm{Ga}}_{1mathrm{ensuremath{-}}mathrm{x}}$As and the photoionization data of lightly doped Si impurities in ${mathrm{Al}}_{0.33}$${mathrm{Ga}}_{0.67}$As. In the BOM, approximate central-force--constant changes are obtained for ${mathrm{Si}}_{mathrm{Al}}$ and ${mathrm{Si}}_{mathrm{As}}$ in AlAs. For ${mathrm{Al}}_{mathrm{Ga}}$, ${mathrm{Si}}_{mathrm{Ga}}$, and ${mathrm{Si}}_{mathrm{As}}$ in GaAs the accurate values of force constants are derived in the Green's-function framework by fitting the existing optical data of impurity modes. With appropriate perturbation parameters for ${mathrm{Si}}_{mathrm{Ga}}$ and ${mathrm{Al}}_{mathrm{Ga}}$, our Green's-function theory has predicted the splitting of a ${mathrm{Si}}_{mathrm{Ga}}$ impurity mode (ensuremath{sim}384.0 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$) into a triplet (ensuremath{sim}386.1, 384.7, and 384.3 ${mathrm{cm}}^{mathrm{ensuremath{-}}1}$), when an Al atom in ${mathrm{Al}}_{mathrm{x}}$${mathrm{Ga}}_{1mathrm{ensuremath{-}}mathrm{x}}$As:Si (for x<0.04) occupies a next-nearest-neighbor Ga site relative to ${mathrm{Si}}_{mathrm{Ga}}$. This splitting can be observed by the high-resolution Fourier-transform infrared spectroscopy." @default.
• W2024456783 created "2016-06-24" @default.
• W2024456783 creator A5000439948 @default.
• W2024456783 creator A5016014559 @default.
• W2024456783 date "1989-11-15" @default.
• W2024456783 modified "2023-09-24" @default.
• W2024456783 title "Effect of alloy disorder on the vibrational spectrum of silicon donors in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Al</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant=normal>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Ga</mml:mi></mml:mrow><mml:mrow><mml:mn>1</…" @default.
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• W2024456783 doi "https://doi.org/10.1103/physrevb.40.9779" @default.
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