Structural symmetry changes in SmB 6 - 2D correlation spectroscopy and principal component analysis

Thi Huyen Nguyen, Thi Minh Hien Nguyen, Boyoun Kang, Beongki Cho, Yeonju Park, Young Mee Jung, In Sang Yang

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

2D correlation analysis (2DCOS) and principal component analysis (PCA) have been performed on temperature-dependent Raman spectra from 12 K to 300 K of SmB 6 single crystals grown from Boron with a purity of 99.9% (3N) or 99.9999% (6N). Significant differences in the Raman spectra of SmB 6 (3N) and SmB 6 (6N) are observed. The Raman active T 2g , E g , and A 1g modes of SmB 6 (3N) are broader and shift to higher wavenumbers compared with those of SmB 6 (6N). The results of 2DCOS and PCA on temperature-dependent Raman spectra of SmB 6 (3N) and SmB 6 (6N) give us further information. We find that all the T 2g , E g , and A 1g modes of SmB 6 (6N) are single bands, while those of SmB 6 (3N) show all doublet features. The appearance of multiple bands in Raman vibrational modes of SmB 6 (3N) sample implies that the structure of boron octahedra of the SmB 6 (3N) has lower symmetry than that of SmB 6 (6N). Our findings in 2DCOS and PCA of the Raman spectra strongly support the differences in the behavior of SmB 6 (3N) and SmB 6 (6N).

Original languageEnglish
Pages (from-to)84-89
Number of pages6
JournalJournal of Molecular Structure
Volume1165
DOIs
StatePublished - 5 Aug 2018

Bibliographical note

Funding Information:
I. S. Yang acknowledges the support by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIP) (No. 2017R1A2B2009309 ).

Publisher Copyright:
© 2018 Elsevier B.V.

Keywords

  • 2D correlation spectroscopy (2DCOS)
  • Overlapped peaks
  • Principal component analysis (PCA)
  • Raman spectroscopy
  • SmB

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