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A combined high-pressure experimental and theoretical study of the electronic band-structure of scheelite-type AWO4 (A = Ca, Sr, Ba, Pb) compounds
high-pressure experimental theoretical study the electronic band-structure scheelite-type AWO4
2011/8/17
Abstract: The optical-absorption edge of single crystals of CaWO4, SrWO4, BaWO4, and PbWO4 has been measured under high pressure up to ~20 GPa at room temperature. From the measurements we have obtain...
A Theoretical Study on Silicon and III-V Compound Nanotubes
silicon nanotube first principles calculations
2010/4/12
In this paper we present a theoretical study on single-wall silicon and III-V compound nanotubes. First principles plane wave calculations within density functional theory are used to predict energe...