Equation of state of LiNi0.8Co0.1Mn0.1O2 at high pressure

Abstract Investigations of equation of state (EOS) of LiNi0.8Co0.1Mn0.1O2 under high pressure have been performed using synchrotron radiation X-ray diffraction (XRD) in a diamond anvil cell (DAC) at ambient temperature, density functional theory (DFT) calculations and Raman spectroscopy. It is found that the hexagonal structure maintains to the maximum pressure of 29.8 GPa by XRD and 31.1 GPa by Raman scattering. The XRD data yields a bulk modulus K0 = 126.2(4.0) GPa with K0' = 8.58(0.84). In addition, the high-pressure compression behavior of LiNi0.8Co0.1Mn0.1O2 has been studied by first principles calculations. And the derived bulk modulus of LiNi0.8Co0.1Mn0.1O2 is 129(1) GPa.