Filters: Date: "1994-05" Collection: ir_uspace
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| Creator | Title | Description | Subject | Date | ||
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Liu, Feng | First-principles study of crystalline silica | We have investigated the structural properties of five different crystalline forms of Si02 using a first-principles approach. An ultrasoft Vanderbilt pseudopotential is generated for oxygen which enables us to use a small plane-wave cutoff of 25 Ry. The relative stability, the equation of state, an... | First-principles; Crystalline silica; Ultrasoft Vanderbilt pseudopotential | 1994-05 |
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