Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 106, Issue 16, Pages 6525-6528Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0902062106
Keywords
high pressure; infrared reflectivity; metal-insulator transition
Categories
Funding
- National Science Foundation [DMR 0805056, EAR 0711358, 06-49658]
- Balzan Foundation
- U. S. Department of Energy Basic Energy Sciences and National Nuclear Security Administration/Carnegie-Department of Energy Alliance Center [DE-FC52-08NA28554, DE-AC02-98CH10886]
- U. K. Engineering and Physical Sciences Research Council
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [805056] Funding Source: National Science Foundation
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Synchrotron infrared spectroscopy on sodium shows a transition from a high reflectivity, nearly free-electron metal to a low-reflectivity, poor metal in an orthorhombic phase at 118 GPa. Optical spectra calculated within density functional theory (DFT) agree with the experimental measurements and predict a gap opening in the orthorhombic phase at compression beyond its stability field, a state that would be experimentally attainable by appropriate choice of pressure-temperature path. We show that a transition to an incommensurate phase at 125 GPa results in a partial recovery of good metallic character up to 180 GPa, demonstrating the strong relationship between structure and electronic properties in sodium.
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