Atom-in-jellium predictions of the shear modulus at high pressure [CL]

http://arxiv.org/abs/2105.12303


Atom-in-jellium calculations of the Einstein frequency in condensed matter and of the equation of state were used to predict the variation of shear modulus from zero pressure to $\sim 10^7$ g/cm$^3$, for several elements relevant to white dwarf (WD) stars and other self-gravitating systems. This is by far the widest range reported electronic structure calculation of shear modulus, spanning from ambient through the one-component plasma to extreme relativistic conditions. The predictions were based on a relationship between Debye temperature and shear modulus which we assess to be accurate at the $o(10\%)$ level, and is the first known use of atom-in-jellium theory to calculate a shear modulus. We assessed the overall accuracy of the method by comparing with experimental measurements and more detailed electronic structure calculations at lower pressures.

Read this paper on arXiv…

D. Swift, T. Lockard, S. Hamel, et. al.
Thu, 27 May 21
33/62

Comments: N/A