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.
- Publication:
-
Solid State Communications
- Pub Date:
- September 2019
- DOI:
- 10.1016/j.ssc.2019.113656
- Bibcode:
- 2019SSCom.29913656X
- Keywords:
-
- Equation of state;
- LiNi<SUB>0.8</SUB>Co<SUB>0.1</SUB>Mn<SUB>0.1</SUB>O<SUB>2</SUB>;
- High pressure;
- Diamond anvil cell;
- In-situ XRD;
- In-situ Raman spectroscopy