KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Preprint Posting Date2013-11-12
Permanent link to this recordhttp://hdl.handle.net/10754/562947
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AbstractThe stability of germanene under biaxial tensile strain and the accompanying modifications of the electronic properties are studied by density functional theory. The phonon spectrum shows that up to 16% strain the germanene lattice is stable, where the Dirac cone shifts towards higher energy and hole-doped Dirac states are achieved. The latter is due to weakening of the Ge-Ge bonds and reduction of the s-p hybridization. Our calculated Grüneisen parameter shows a similar dependence on the strain as reported for silicene (which is different from that of graphene). © 2013 Elsevier B.V. All rights reserved.
JournalChemical Physics Letters