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• W1994553081 abstract "We investigate the vibrational modes and infrared spectra of the exceptionally stable isovalent $X@{text{Si}}_{16}$ ($X=text{Ti}$, Zr, and Hf) nanoparticles, making use of first-principles density-functional theory. Our results predict the existence of high-intensity modes of low frequency. An estimate of the electron-phonon coupling strength $ensuremath{lambda}$ is also provided based on a single-molecule method introduced recently. The large value of $ensuremath{lambda}$ combined with predicted stability of bulk materials assembled with these nanoparticles suggest that these materials, when appropriately doped, may exhibit high-temperature superconducting properties." @default.
• W1994553081 created "2016-06-24" @default.
• W1994553081 creator A5073403497 @default.
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• W1994553081 date "2010-10-20" @default.
• W1994553081 modified "2023-09-28" @default.
• W1994553081 title "Vibrational spectra of silicon cage clusters doped with Ti, Zr, or Hf" @default.
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• W1994553081 doi "https://doi.org/10.1103/physrevb.82.155440" @default.
• W1994553081 hasPublicationYear "2010" @default.
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