Graphene bandgap induced by ferroelectric 2 HfO substrates: a first-principles study

The electronic properties of graphene on top of ferroelectric HfO 2 substrates in an orthorhombic phase with space group Pca 2 1 are investigated using density functional theory calculations. The space group Pca 2 1 was recently identified as one of the two potential candidates for ferroelectricity...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019-07, Vol.21 (27), p.151-156
Hauptverfasser:	Nemnes, George Alexandru, Dragoman, Daniela, Dragoman, Mircea
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