Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 109, Issue 16, Pages 5948-5952Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1202875109
Keywords
high pressure; semiconductor chalcogenides; semiconductor-metal interconversion
Categories
Funding
- National Natural Science Foundation of China [60976005]
- Outstanding Young Scientists Foundation of Fujian Province of China [2010J06018]
- National Key Basic Research Program of China (973 Program) [2012CB825700]
- Energy Frontier Research in Extreme Environments Center (EFree), an Energy Frontier Research Center
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SG0001057]
- VR, Sweden
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With the advent of big synchrotron facilities around the world, pressure is now routinely placed to design a new material or manipulate the properties of materials. In GeTe, an important phase-change material that utilizes the property contrast between the crystalline and amorphous states for data storage, we observed a reversible phase transition of rhombohedral <-> rocksalt <-> orthorhombic <-> monoclinic coupled with a semiconductor <-> metal interconversion under pressure on the basis of ab initio molecular dynamics simulations. This interesting reversible phase transition under pressure is believed to be mediated by Peierls distortion in GeTe. Our results suggest a unique way to understand the reversible phase transition and hence the resistance switching that is crucial to the applications of phase-change materials in nonvolatile memory. The present finding can also be expanded to other IV-VI semiconductors.
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