@article{(Open Science Index):https://publications.waset.org/pdf/7834, title = {Pressure Study on Mn Doped KDP System under Hydrostatic Pressure}, author = {W. Paraguassu and S. Guerini and C. M. R. Remédios and P. T. C. Freire}, country = {}, institution = {}, abstract = {High Pressure Raman scattering measurements of KDP:Mn were performed at room temperatures. The X-ray powder diffraction patterns taken at room temperature by Rietveld refinement showed that doped samples of KDP-Mn have the same tetragonal structure of a pure KDP crystal, but with a contraction of the crystalline cell. The behavior of the Raman spectra, in particular the emergence of a new modes at 330 cm-1, indicates that KDP:Mn undergoes a structural phase transition with onset at around 4 GP. First principle density-functional theory (DFT) calculations indicate that tetrahedral rotation with pressure is predominantly around the c crystalline direction. Theoretical results indicates that pressure induced tetrahedral rotations leads to change tetrahedral neighborhood, activating librations/bending modes observed for high pressure phase of KDP:Mn with stronger Raman activity. }, journal = {International Journal of Physical and Mathematical Sciences}, volume = {6}, number = {8}, year = {2012}, pages = {1037 - 1040}, ee = {https://publications.waset.org/pdf/7834}, url = {https://publications.waset.org/vol/68}, bibsource = {https://publications.waset.org/}, issn = {eISSN: 1307-6892}, publisher = {World Academy of Science, Engineering and Technology}, index = {Open Science Index 68, 2012}, }