Abstract
Investigations of equation of state (EOS) of LiNi0·5Mn1·5O4 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 cubic structure maintains to the maximum pressure of 27.3 GPa by XRD and 21.0 GPa by Raman scattering. The XRD data yields a bulk modulus K0 = 146.2(7.5) GPa with K0' = 14.6(1.7). In addition, the high-pressure compression behavior of LiNi0·5Mn1·5O4 has been studied by first principles calculations. And the derived bulk modulus of LiNi0·5Mn1·5O4 is 131(1) GPa.
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