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| Creator | Title | Description | Subject | Date | ||
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Liu, Feng | First-principles studies on structural properties of β-cristobalite | The structure of β-cristobalite has been studied through a first-principles total-energy minimization in the local-density approximation using a Car-Parrinello-type algorithm combined with the Vanderbilt ultrasoft pseudopotential scheme. It was found that the hypothetical ordered structure propose... | First-principles; Car-Parrinello-type algorithm | 1993-05 |
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