1,721,133 research outputs found
Compositional disorder in AlGaAs superlattices: bond charge model calculations of vibrational features and optical spectra
No full textLattice dynamics of homopola/heteropolar semiconductor superlattices: Ge/GaAs and Ge/AlAs
No full textInterplanar force constants in GaAs and Ge: bond charge model vs. ab initio calculations
No full textGeometric construction of large dynamical matrices: applications to reconstructed surfaces, superlattices, and mixed crystals
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Dispersive linear chain approach to the interpretation of surface phonons: applications to GaSe (001) and TaSe2 (001)
No full textCOMPOSITIONAL DISORDER IN ALGAAS SUPERLATTICES - BOND CHARGE MODEL-CALCULATIONS OF VIBRATIONAL FEATURES AND OPTICAL-SPECTRA
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Tight-binding molecular dynamics in liquid III-V compounds: I. Potential generation
No full textWe present a novel tight-binding scheme designed for total-energy and molecular-dynamics simulations in III-V compounds. The role played by orbital overlap and charge transfer is critically addressed and suitably modelled. Comparisons to first-principles density-functional and Hartree-Fock data are presented and commented on in view of the interpolative character of the present method.</p
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