P-V relationship of elements in the pressure range of 200-300 GPa

TL;DR

This paper investigates the pressure-volume relationship of elements in the 200-300 GPa range, revealing how compressibility varies with atomic number and providing data for understanding material behavior under extreme pressures.

Contribution

It introduces a method to evaluate element compressibility using the N-order function of pressure and volume, highlighting periodic trends in bulk modulus at ultra-high pressures.

Findings

Pressure can be approximated as P ∝ 1/V^N with N indicating compressibility.

N values show periodicity with atomic number, especially in transition metals.

Bulk modulus increases rapidly as volume decreases in high-pressure conditions.

Abstract

In this study, we analyzed the pressure-volume ($P-V$) relationship of elements using the equation of state at an ambient temperature within the multi-megabar pressure range of 200-300 GPa. We investigated the compressibility of elements under ultra-high pressures based on their positions in the periodic table. For the elemental materials in this region, pressure ($P$) can be approximated as an $N$-order function of volume ($V$): $P$ $\propto$ $1/V^N$. By determining the $N$ value, we can evaluate the contribution of the volume change to the total energy of the system. The $N$ value is also an indicator the bulk modulus in this pressure range and shows periodicity with increasing atomic number, and shows significant values in the range of 4.5-6, for transition metals with close-packed structures (fcc, hcp). This suggests that the total energy of these elements increases rapidly as volume decreases. Furthermore, the current results provide basic data for understanding the compressibility of elemental materials under extreme ultra high-pressure conditions based on the quantum theory of solids.