Quick Search:

uzh logo
Browse by:
bullet
bullet
bullet
bullet

Zurich Open Repository and Archive 

Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-65269

Eshet, Hagai; Khaliullin, Rustam Z; Kuehne, Thomas D; Behler, Joerg; Parrinello, Michele (2012). Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure. Physical Review Letters, 108(11):115701.

[img]
Preview
PDF
1MB

Abstract

X-ray diffraction experiments have shown that sodium exhibits a dramatic pressure-induced drop in melting temperature, which extends from 1000 K at similar to 30 GPa to as low as room temperature at similar to 120 GPa. Despite significant theoretical effort to understand the anomalous melting, its origins are still debated. In this work, we reconstruct the sodium phase diagram by using an ab initio quality neural-network potential. Furthermore, we demonstrate that the reentrant behavior results from the screening of interionic interactions by conduction electrons, which at high pressure induces a softening in the short-range repulsion.

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
DDC:540 Chemistry
Language:English
Date:March 2012
Deposited On:18 Oct 2012 10:52
Last Modified:30 Jun 2014 12:12
Publisher:American Physical Society
ISSN:0031-9007
Free access at:Publisher DOI. An embargo period may apply.
Publisher DOI:10.1103/PhysRevLett.108.115701
Other Identification Number:ISI:000301411300011
Citations:Web of Science®. Times Cited: 7
Google Scholar™
Scopus®. Citation Count: 6

Users (please log in): suggest update or correction for this item

Repository Staff Only: item control page