Ideal strength and phonon instability of strained monolayer materials

The ideal strength of monolayer materials possessing semimetallic, semiconducting, and insulating ground states is computed using density functional theory. Here we show that, as in graphene, a soft mode occurs at the K point in BN, graphane, and MoS sub(2), while not in silicene. The transition is...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-05, Vol.89 (18), Article 184111
Hauptverfasser:	Isaacs, Eric B., Marianetti, Chris A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter Distortion Graphene Instability Molybdenum disulfide Monolayers Phonons Stability
Online-Zugang:	Volltext
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