What question did this study set out to answer?

To investigate the electronic state of copper ions in CuBO compounds with the delafossite structure using NQR spectra.

February 6, 2026Физика металлов и металловедение / Physics of Metals and Metallography0 citations

FEATURES OF THE ELECTRONIC STATE OF COPPER IONS OF CuBO (B = Al, Cr, Fe) COMPOUNDS WITH THE DELAFOSSITE STRUCTURE

Key Points

To investigate the electronic state of copper ions in CuBO compounds with the delafossite structure using NQR spectra.
Measured NQR spectra of Cu in CuCrO and CuAlO over a temperature range of 30–380 K.
Identified Gaussian-shaped lines in spectra with specific widths for each compound.
Analyzed the temperature dependence of resonance frequency and structural data for insights into hybridization.
CuCrO shows a line width of 30 kHz, while CuAlO shows 55 kHz.
Resonance frequency increases as temperature decreases, plateauing below 100 K at 28.29 MHz for CuCrO and 27.11 MHz for CuAlO.
Found evidence of hybridization between 3d and 4s orbitals in Cu ions.

Abstract

Nuclear quadrupole resonance (NQR) spectra of Cu were measured in CuCrO and CuAlO samples over a wide temperature range (30–380 K). The spectra consist of two Gaussian-shaped lines with a width at half the height of Δν = 30 kHz for CuCrO and Δν = 55 kHz for CuAlO. The frequency of resonance V(T) increases with decreasing temperature and reaches a plateau at V = 28.29 MHz and V = 27.11 MHz below 100 K. Analysis of NMR, NQR and structural data of isostructural compounds CuBO (B = Al, Cr, Fe) allows us to reasonably assume the presence of hybridized 3d – 4s-orbitals in Cu ions.

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