AuthorsTahini, H. A.
Chroneos, Alexander I.
Grimes, Robin W.
Dimoulas, Athanasios Dimoulas
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2012-04-17
Print Publication Date2012-05-16
Permanent link to this recordhttp://hdl.handle.net/10754/562156
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AbstractDensity 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 ,  and  directions) germanium (Ge). It is calculated that a moderate uniaxial strain parallel to the  direction can efficiently transform Ge to a direct bandgap material with a bandgap energy useful for technological applications. © 2012 IOP Publishing Ltd.
CitationTahini, 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
SponsorsThis 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.