Equation of state and electron localisation in fcc lithium
Journal Article
·
· Journal of Applied Physics
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
We present an improved equation of state for the high-pressure fcc phase of lithium with ambient temperature experimental data, extending the pressure range of previous studies to 36 GPa. Accompanying density functional theory calculations, which reproduce the experimental equation of state, show that with increasing density the phase diverges from a nearly free electron metal. At the high pressure limit of its stability fcc lithium exhibits enhanced electron density on the octahedral interstices with a high degree of localisation.
- Research Organization:
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL); Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- USDOE Office of Science (SC), Fusion Energy Sciences (FES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); Argonne National Lab. (ANL), Argonne, IL (United States)
- Grant/Contract Number:
- AC02-76SF00515; FWP100182; NA0001974; AC02-06CH11357
- OSTI ID:
- 1419493
- Alternate ID(s):
- OSTI ID: 1421289
- Journal Information:
- Journal of Applied Physics, Vol. 123, Issue 6; ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 6 works
Citation information provided by
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