Z2 Invariance of Germanene on MoS2 from First Principles

Taher Amlaki, Menno Bokdam, Paul J. Kelly

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Abstract

We present a low energy Hamiltonian generalized to describe how the energy bands of germanene (¯¯¯¯¯Ge) are modified by interaction with a substrate or a capping layer. The parameters that enter the Hamiltonian are determined from first-principles relativistic calculations for Ge ¯ ¯ ¯ ¯ |MoS 2 bilayers and MoS 2 |Ge ¯ ¯ ¯ ¯ |MoS 2 trilayers and are used to determine the topological nature of the system. For the lowest energy, buckled germanene structure, the gap depends strongly on how germanene is oriented with respect to the MoS 2 layer(s). Topologically nontrivial gaps for bilayers and trilayers can be almost as large as for a freestanding germanene layer.
Original languageEnglish
Article number256805
Number of pages6
JournalPhysical review letters
Volume116
Issue number256805
DOIs
Publication statusPublished - 2016

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invariance
energy bands
energy
interactions

Keywords

  • IR-101165
  • METIS-317033

Cite this

Amlaki, Taher ; Bokdam, Menno ; Kelly, Paul J. / Z2 Invariance of Germanene on MoS2 from First Principles. In: Physical review letters. 2016 ; Vol. 116, No. 256805.
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Z2 Invariance of Germanene on MoS2 from First Principles. / Amlaki, Taher; Bokdam, Menno; Kelly, Paul J.

In: Physical review letters, Vol. 116, No. 256805, 256805, 2016.

Research output: Contribution to journalArticleAcademicpeer-review

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T1 - Z2 Invariance of Germanene on MoS2 from First Principles

AU - Amlaki, Taher

AU - Bokdam, Menno

AU - Kelly, Paul J.

PY - 2016

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AB - We present a low energy Hamiltonian generalized to describe how the energy bands of germanene (¯¯¯¯¯Ge) are modified by interaction with a substrate or a capping layer. The parameters that enter the Hamiltonian are determined from first-principles relativistic calculations for Ge ¯ ¯ ¯ ¯ |MoS 2 bilayers and MoS 2 |Ge ¯ ¯ ¯ ¯ |MoS 2 trilayers and are used to determine the topological nature of the system. For the lowest energy, buckled germanene structure, the gap depends strongly on how germanene is oriented with respect to the MoS 2 layer(s). Topologically nontrivial gaps for bilayers and trilayers can be almost as large as for a freestanding germanene layer.

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KW - METIS-317033

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