| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383933 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠THz IR absorption spectra of PETN crystal were calculated using two MD methods. ⺠Spectra were calculated at T = 298 K for pressures P = 0, 1, 2, and 3 GPa. ⺠The two approaches yield similar predictions for the spectra. ⺠The terahertz spectra exhibit an overall blue shift with increasing pressure. ⺠Pressure-dependent Raman spectra at higher frequencies provide indirect validation.
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Authors
Andrey Pereverzev, Thomas D. Sewell,