VIBRATIONAL NORMAL MODES OF SIO2 .1. ALPHA AND BETA QUARTZ

VIBRATIONAL NORMAL MODES OF SIO2 .1. ALPHA AND BETA QUARTZ
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DOI:
10.1063/1.1681287
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发表时间:
1974-01-01
影响因子:
4.4
通讯作者:
SMETANKINE, L
SMETANKINE, L
中科院分区:
化学2区
文献类型:
--
作者:
ETCHEPARE, J;MERIAN, M;SMETANKINE, L

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对α和β石英的振动模进行了理论研究,利用最新的关于β形式的实验结果。结果表明,单价力场可以解释这两种晶型的光学频率。用Kleinman和Spitzer方法计算了原子位移的红外和拉曼强度,结果令人满意。
A theoretical study of the vibrational modes of α and β quartz has been carried out, using some recent experimental results on the β form. It is shown that a single valence force field can account for the optical frequencies of both crystalline forms. The infrared and Raman intensities were also calculated from atomic displacements, using the method of Kleinman and Spitzer; the results seem satisfactory on the whole.