Nuclear density distribution in KH2PO4 determined by the combined software system REMEDY

S. Kumazawa, S. Yamamura, E. Nishibori, M. Takata, M. Sakata, F. Izumi, Y. Ishii

Research output: Contribution to journalConference articlepeer-review

4 Citations (Scopus)

Abstract

The nuclear density distributions for both paraelectric and ferroelectric phases of KH2PO4 (KDP) were obtained by the software system named REMEDY, which is a combined program system of Rietveld refinement, RIETAN-98, and the maximum entropy method, MEND for neutron diffraction. The experimental data were collected by HRPD at JRR-3M. The specimen used was non-deuterated KDP, which caused no real problem in finding out the accurate proton distribution despite the higher background level. The results show high contrast as for proton distributions; symmetric double maxima between two oxygen atoms for a disordered paraelectric phase and a harmonic single maximum for an ordered ferroelectric phase.

Original languageEnglish
Pages (from-to)1407-1409
Number of pages3
JournalJournal of Physics and Chemistry of Solids
Volume60
Issue number8
DOIs
Publication statusPublished - 1999
Externally publishedYes
EventProceedings of the 1998 7th ISSP International Symposium Frontiers in Neutron Scattering Research (ISSP7) - Tokyo, Jpn
Duration: 1998 Nov 241998 Nov 27

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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