First-principles simulation of Raman spectra and structural properties of quartz up to 5 GPa<xref ref-type="fn" rid="cpb151751fn1">*</xref>

First-principles simulation of Raman spectra and structural properties of quartz up to 5 GPa*

Liu Lei†^a), Lv Chao-Jia^a), Zhuang Chun-Qiang^b), Yi Li^a), Liu Hong^a), Du Jian-Guo^a)

Schematic diagrams of vibrational model of quartz Raman mode (view from (001)). The arrow and its length indicate the direction of atomic motion and vibrational intensity.