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Volumn 80, Issue 2, 2009, Pages

Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change material Ge2 Sb2 Te5

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EID: 68949131371     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.020201     Document Type: Article
Times cited : (91)

References (25)
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    • 10.1103/PhysRevB.76.235201;
    • J. Akola and R. O. Jones, Phys. Rev. B 76, 235201 (2007) 10.1103/PhysRevB.76.235201
    • (2007) Phys. Rev. B , vol.76 , pp. 235201
    • Akola, J.1    Jones, R.O.2
  • 6
    • 44349151577 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.100.205502
    • J. Akola and R. O. Jones, see also Phys. Rev. Lett. 100, 205502 (2008). 10.1103/PhysRevLett.100.205502
    • (2008) Phys. Rev. Lett. , vol.100 , pp. 205502
    • Akola, J.1    Jones, R.O.2
  • 8
    • 42549141873 scopus 로고    scopus 로고
    • 10.1038/nmat2157
    • J. Hegedüs and S. R. Elliott, Nature Mater. 7, 399 (2008) have shown the importance of ABAB units in the crystallization of a- GST. 10.1038/nmat2157
    • (2008) Nature Mater. , vol.7 , pp. 399
    • Hegedüs, J.1    Elliott, S.R.2
  • 15
    • 34848844350 scopus 로고    scopus 로고
    • See, for example, 10.1103/PhysRevB.76.125210;
    • See, for example, P. Biswas, R. Atta-Fynn, and D. A. Drabold, Phys. Rev. B 76, 125210 (2007) 10.1103/PhysRevB.76.125210
    • (2007) Phys. Rev. B , vol.76 , pp. 125210
    • Biswas, P.1    Atta-Fynn, R.2    Drabold, D.A.3
  • 17
    • 68949125777 scopus 로고    scopus 로고
    • CPMD V3.12, Copyright IBM Corp 1990-2008, Copyright MPI für Festkörperforschung Stuttgart 1997-2001
    • CPMD V3.12, Copyright IBM Corp 1990-2008, Copyright MPI für Festkörperforschung Stuttgart 1997-2001 (http://www.cpmd.org).
  • 22
    • 68949088895 scopus 로고    scopus 로고
    • See EPAPS Document No. E-PRBMDO-80-R07926 for bond distances and bond angle distributions, partial coordination numbers, and frequently occurring Ge-centered configurations. S (Q) for the DF optimized structure is also given. For more information on EPAPS, see
    • See EPAPS Document No. E-PRBMDO-80-R07926 for bond distances and bond angle distributions, partial coordination numbers, and frequently occurring Ge-centered configurations. S (Q) for the DF optimized structure is also given. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
  • 24
    • 68949114854 scopus 로고    scopus 로고
    • Fourfold coordinated Ge atoms are "tetrahedral" if the average deviation of the six bond angles (for bonds ≤3.0) from the octahedral values (90 and 180°) exceeds 10°.
    • Fourfold coordinated Ge atoms are "tetrahedral" if the average deviation of the six bond angles (for bonds ≤3.0) from the octahedral values (90 and 180°) exceeds 10°.
  • 25
    • 0000780089 scopus 로고
    • 10.1103/PhysRevB.31.1770
    • J. Harris, Phys. Rev. B 31, 1770 (1985). 10.1103/PhysRevB.31.1770
    • (1985) Phys. Rev. B , vol.31 , pp. 1770
    • Harris, J.1


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