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Items for "Vibrational mode"

First-principles calculation of vibrational frequencies for monoclinic tribismuth borate BiB3O6

Monoclinic BiB3O6 is an excellent nonlinear optical material with many advantages compared to other borate crystals...

Keywords: Tribismuth borate, First-principles, Density functional theory, Harmonic phononic frequency, Vibrational mode

09/2007 | Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag