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

ABSTRACT: 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 Cu¹¹B₂O

SUBMITTER: Mero RD 

PROVIDER: S-EPMC9057853 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature