Document Detail

Semimetallic dense hydrogen above 260 GPa.
MedLine Citation:
PMID:  22665782     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Being the lightest and the most abundant element in the universe, hydrogen is fascinating to physicists. In particular, the conditions of its metallization associated with a possible superconducting state at high temperature have been a matter of much debate in the scientific community, and progress in this field is strongly correlated with the advancements in theoretical methods and experimental techniques. Recently, the existence of hydrogen in a metallic state was reported experimentally at room temperature under a pressure of 260-270 GPa, but was shortly after that disputed in the light of more experiments, finding either a semimetal or a transition to an other phase. With the aim to reconcile the different interpretations proposed, we propose by combining several computational techniques, such as density functional theory and the GW approximation, that phase III at ambient temperature of hydrogen is the Cmca-12 phase, which becomes a semimetal at 260 GPa . From phonon calculations, we demonstrate it to be dynamically stable; calculated electron-phonon coupling is rather weak and therefore this phase is not expected to be a high-temperature superconductor.
Sébastien Lebègue; Carlos Moyses Araujo; Duck Young Kim; Muhammad Ramzan; Ho-kwang Mao; Rajeev Ahuja
Publication Detail:
Type:  Journal Article     Date:  2012-06-04
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 Jun 
Date Detail:
Created Date:  2012-06-20     Completed Date:  2012-09-10     Revised Date:  2013-02-27    
Medline Journal Info:
Nlm Unique ID:  7505876     Medline TA:  Proc Natl Acad Sci U S A     Country:  United States    
Other Details:
Languages:  eng     Pagination:  9766-9     Citation Subset:  -    
Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (UMR 7036), Institut Jean Barriol, Nancy Université, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Accurate protein structure modeling using sparse NMR data and homologous structure information.
Next Document:  Capturing directed molecular motion in the nuclear pore complex of live cells.