Open Science Research Excellence
@article{(International Science Index):http://waset.org/publications/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 Mathematical, Computational, Physical, Electrical and Computer Engineering},  volume    = {6},
  number    = {8},
  year      = {2012},
  pages     = {1037 - 1040},
  ee        = {http://waset.org/publications/7834},
  url       = {http://waset.org/Publications?p=68},
  bibsource = {http://waset.org/Publications},
  issn      = {eISSN:1307-6892},
  publisher = {World Academy of Science, Engineering and Technology},
  index     = {International Science Index 68, 2012},
}