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    Strain-induced changes to the electronic structure of germanium

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    Type
    Article
    Authors
    Tahini, H. A.
    Chroneos, Alexander I.
    Grimes, Robin W.
    Schwingenschlögl, Udo cc
    Dimoulas, Athanasios Dimoulas
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2012-04-17
    Online Publication Date
    2012-04-17
    Print Publication Date
    2012-05-16
    Permanent link to this record
    http://hdl.handle.net/10754/562156
    
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    Abstract
    Density functional theory calculations (DFT) are used to investigate the strain-induced changes to the electronic structure of biaxially strained (parallel to the (001), (110) and (111) planes) and uniaxially strained (along the [001], [110] and [111] directions) germanium (Ge). It is calculated that a moderate uniaxial strain parallel to the [111] direction can efficiently transform Ge to a direct bandgap material with a bandgap energy useful for technological applications. © 2012 IOP Publishing Ltd.
    Citation
    Tahini, H., Chroneos, A., Grimes, R. W., Schwingenschlögl, U., & Dimoulas, A. (2012). Strain-induced changes to the electronic structure of germanium. Journal of Physics: Condensed Matter, 24(19), 195802. doi:10.1088/0953-8984/24/19/195802
    Sponsors
    This publication was based on research supported by King Abdullah University for Science and Technology (KAUST). HT is grateful to Samuel Murphy (ICL) for useful discussions. Computing resources were provided by the HPC facility at ICL (www3.imperial.ac.uk/ict/services/highperformancecomputing). AC and AD acknowledge financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631.
    Publisher
    IOP Publishing
    Journal
    Journal of Physics: Condensed Matter
    DOI
    10.1088/0953-8984/24/19/195802
    ae974a485f413a2113503eed53cd6c53
    10.1088/0953-8984/24/19/195802
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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