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Behavior of materials in deep Earth and planets, such as silicate minerals, iron alloys, water and hydrogen- and helium- gases in solid and liquid states, are still almost unknown. Our goal [1] is to establish the basic knowledge of these materials to understand the history of Earth and planets by combining the first principles quantum calculations on K and Fugaku Supercomputers with diffraction and spectroscopy measurements at quantum beamlines such as SPring-8, SACLA, and J-PARC.

In this talk I will introduce our calculation of X-ray Raman scattering spectrum of solid oxygen [2,3].

 

[1] Post-K Exploratory Challenge 1-1-C, “Structure and Properties of Materials in Deep Earth and Planets”.
http://www.iitaka.org/~xmat/

[2] H. Fukui et al., PNAS, 201905771 (2019).
http://dx.doi.org/10.1073/pnas.1905771116

[3] L. T. Anh et al., Sci. Rep. 9, 8731 (2019).
http://dx.doi.org/10.1038/s41598-019-45314-9

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