Lattice dynamics of piezoelectric copper metaborate CuB2O4

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

“…The Cu-O stretching modes in the range 700-900 cm À1 were mixed with the B-O vibrations, whereas modes above 900 cm À1 were considered to have occurred mainly from B-O stretching vibrations. Our experimental results of the phonon modes demonstrated good agreement with the theoretical ab initio calculations by Pisarev et al 32 The data on the isotope boron effects, summarized in Table 1, elucidates the coupling involved in the phonon vibrations occurring primarily between Cu and B. The Raman scattering spectrum of Cu 11 B 2 O 4 was shied to lower frequencies by at least one wavenumber compared with the Raman scattering spectrum of CuB 2 O 4 , as illustrated in Fig.…”

Sintering, Microstructure, and Dielectric Properties of Copper Borates for High Frequency LTCC Applications

“…The relevant values for CuB 2 O 4 and Cu 3 B 2 O 6 obtained in this work are 0.17 and 0.16 for ppm , and 17.6 and 10.2 for va , respectively. The bond lengths reported for CuB 2 O 4 are 1.999 Å for prevailing Cu–O shorter bonds, 2.864 Å for Cu–O longer bonds, and 1.444–1.487 Å for B–O bonds [ 26 ]. For Cu 3 B 2 O 6 , the average Cu–O bond length is 2.1 Å [ 28 ] .…”

“…The copper metaborate CuB 2 O 4 crystallizes in a tetragonal structure with I-42d space group [25][26][27]. Its structure is composed of a BO 4 tetrahedra sharing four common oxygen ions.…”

“…Its structure is composed of a BO 4 tetrahedra sharing four common oxygen ions. Cu 2+ ions are situated between them in two different crystallographic positions corresponding to a planar square or an elongated octahedral coordination [25][26][27].…”

“…Besides broad studies of the magnetic properties of CuB 2 O 4 and Cu 3 B 2 O 6 crystals, potential magneto-optical, piezoelectric, multiferroic, and photocatalytic applications of CuB 2 O 4 were also reported [ 25 , 26 , 27 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 ]. Furthermore, Cu 3 B 2 O 6 was applied for active electrodes of lithium-ion batteries [ 38 , 39 ].…”