Bulk Dirac points in distorted spinels

We report on a Dirac-like Fermi surface in three-dimensional bulk materials in a distorted spinel structure on the basis of density functional theory as well as tight-binding theory. The four examples we provide in this Letter are BiZnSiO4, BiCaSiO4, BiAlInO4, and BiMgSiO4. A necessary characteristi...

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Bibliographic Details
Published in:	Physical review letters Vol. 112; no. 3; p. 036403
Main Authors:	Steinberg, Julia A, Young, Steve M, Zaheer, Saad, Kane, C L, Mele, E J, Rappe, Andrew M
Format:	Journal Article
Language:	English
Published:	United States American Physical Society (APS) 24-01-2014
Subjects:	Bulk density CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY Density functional theory Dirac points Distortion Hierarchies Lattices MATERIALS SCIENCE Spinel spinels Substructures Three dimensional tight-binding theory
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Summary:	We report on a Dirac-like Fermi surface in three-dimensional bulk materials in a distorted spinel structure on the basis of density functional theory as well as tight-binding theory. The four examples we provide in this Letter are BiZnSiO4, BiCaSiO4, BiAlInO4, and BiMgSiO4. A necessary characteristic of these structures is that they contain a Bi lattice which forms a hierarchy of chainlike substructures, with consequences for both fundamental understanding and materials design.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 USDOE FG02-07ER46431; FG02-ER45118 National Science Foundation (NSF)
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.112.036403