Document Detail

Peierls distortion mediated reversible phase transition in GeTe under pressure.
MedLine Citation:
PMID:  22474349     Owner:  NLM     Status:  MEDLINE    
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.
Zhimei Sun; Jian Zhou; Ho-Kwang Mao; Rajeev Ahuja
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.     Date:  2012-04-02
Journal Detail:
Title:  Proceedings of the National Academy of Sciences of the United States of America     Volume:  109     ISSN:  1091-6490     ISO Abbreviation:  Proc. Natl. Acad. Sci. U.S.A.     Publication Date:  2012 Apr 
Date Detail:
Created Date:  2012-04-18     Completed Date:  2012-07-12     Revised Date:  2013-02-19    
Medline Journal Info:
Nlm Unique ID:  7505876     Medline TA:  Proc Natl Acad Sci U S A     Country:  United States    
Other Details:
Languages:  eng     Pagination:  5948-52     Citation Subset:  IM    
Department of Materials Science and Engineering, College of Materials, and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, 361005 Xiamen, China.
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MeSH Terms
Molecular Dynamics Simulation
Phase Transition*
Physical Processes
Suramin / chemistry*
Tellurium / chemistry*
Reg. No./Substance:
13494-80-9/Tellurium; 145-63-1/Suramin

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