SmO thin films: a flexible route to correlated flat bands with nontrivial topology

Using density functional theory based calculations, we show that the correlated mixed-valent compound SmO is a three-dimensional strongly topological semimetal as a result of a 4f−5d band inversion at the X point. The [001] surface Bloch spectral density reveals two weakly interacting Dirac cones th...

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Main Authors: Kasinathan, Deepa (Author) , Haverkort, Maurits W. (Author)
Format: Article (Journal)
Language:English
Published: 18 May 2015
In: Physical review. B, Condensed matter and materials physics
Year: 2015, Volume: 91, Issue: 19, Pages: 195127
ISSN:1550-235X
DOI:10.1103/PhysRevB.91.195127
Online Access:Verlag, Volltext: http://dx.doi.org/10.1103/PhysRevB.91.195127
Verlag, Volltext: https://link.aps.org/doi/10.1103/PhysRevB.91.195127
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Author Notes:Deepa Kasinathan, Klaus Koepernik, L.H. Tjeng, and Maurits W. Haverkort

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520 |a Using density functional theory based calculations, we show that the correlated mixed-valent compound SmO is a three-dimensional strongly topological semimetal as a result of a 4f−5d band inversion at the X point. The [001] surface Bloch spectral density reveals two weakly interacting Dirac cones that are quasidegenerate at the ¯¯¯¯M point and another single Dirac cone at the ¯¯¯Γ point. We also show that the topological nontriviality in SmO is very robust and prevails for a wide range of lattice parameters, making it an ideal candidate to investigate topological nontrivial correlated flat bands in thin-film form. Moreover, the electron filling is tunable by strain. In addition, we find conditions for which the inversion is of the 4f−6s type, making SmO to be a rather unique system. The similarities of the crystal symmetry and the lattice constant of SmO to the well studied ferromagnetic semiconductor EuO, makes SmO/EuO thin film interfaces an excellent contender towards realizing the quantum anomalous Hall effect in a strongly correlated electron system. 
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