The effect of high pressure on the structure and on the magnetic and electronic properties of nickel monoxide

Abstract

A diamond anvil cell is used to investigate the effect of high pressure (up to 37.5 GPa) on the optical absorption spectra of a single crystal of nickel oxide (NiO). In addition, strain-gage measurements are used to experimentally investigate the V(P) equation of state at a hydrostatic pressure of up to 8.5 GPa in a high-pressure chamber of the “toroid” type. Measurements are performed at room temperature. Absorption bands are observed, which correspond to optical d-d transitions of Ni²⁺ ion in the crystal field of ligands ³A_2g → ³T_2g, ³A_2g → {au1}E_1g, ³A_2g → ³T_1g(F), and ³A_2g → ¹T_2g. The values of energy of these transitions increase linearly with pressure, and their pressure coefficients are 7.3 ± 0.2, 2.87 ± 0.9, 9.7 ± 0.5, and 8.9 ± 0.3 meV/GPa, respectively. The pressure derivative of the crystal field parameter 10Dq corresponding to the ³A_2g → ³T_2g transition gives the pressure dependence of the magnitude of exchange integral J in the Anderson hybridization model. It is found that, in the pressure range from zero to 37.5 GPa, the behavior of the exchange integral J is largely defined by the hybridization parameter b = (10Dq/3). At the same time, the Coulomb interaction parameter U_eff is independent of pressure and, therefore, has no effect on the variation of J. The Coulomb interaction U_eff ≈ 7.47 ± 0.005 eV is determined. The experimental data on the equation of state are used to derive the $J \propto V^\varepsilon$ correlation, where ε = −2.99 ± 0.15, which is in good agreement with the predictions of Bloch’s theory (ε = −10/3).