Anomalous boron isotope effects on electronic structure and lattice dynamics of CuB2O4

Rea Divina Mero, Chun Hao Lai, Chao Hung Du, Hsiang Lin Liu*

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

摘要

Copper metaborate had a unique crystal structure and exhibited noteworthy magnetic phase transitions at 21 and 10 K. The electronic structure and lattice dynamics of copper metaborate Cu11B2O4 single crystals were investigated and compared with the optical properties of CuB2O4, to assess the boron isotope effect. The optical absorption spectrum at room temperature revealed two charge-transfer bands at approximately 4.30 and 5.21 eV with an extrapolated direct optical band gap of 3.16 ± 0.07 eV. Compared with the data on CuB2O4, the electronic transitions were shifted to lower energies upon the replacement of a heavier boron isotope. The band gap was also determined to be lower in Cu11B2O4. Anomalies in the temperature dependence of the optical band gap were observed below 21 K. Furthermore, 38 Raman-active phonon modes were identified in the room-temperature Raman scattering spectrum of Cu11B2O4, which were also observed in CuB2O4 with a shift to lower frequencies. No broadening caused by isotopic changes was observed. As the temperature decreased, phonon frequencies shifted to higher wavenumbers and the linewidth decreased. Anomalous softening in the Raman peaks below 21 K was also revealed.

原文英語
頁(從 - 到)41891-41900
頁數10
期刊RSC Advances
10
發行號68
DOIs
出版狀態已發佈 - 2020 十一月 17

ASJC Scopus subject areas

  • 化學 (全部)
  • 化學工程 (全部)

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