One-dimensional half-metallic interfaces of two-dimensional honeycomb insulators

Bristowe, N. C. and Stengel, Massimiliano and Littlewood, P. B. and Artacho, Emilio and Pruneda, J. M. (2013) One-dimensional half-metallic interfaces of two-dimensional honeycomb insulators. Physical Review B, 88 (16). p. 161411. ISSN 2469-9950. (doi:https://doi.org/10.1103/PhysRevB.88.161411) (Full text available)

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http://dx.doi.org/10.1103/PhysRevB.88.161411

Abstract

We study zigzag interfaces between insulating compounds that are isostructural to graphene, specifically II-VI, III-V, and IV-IV two-dimensional honeycomb insulators. We show that these one-dimensional interfaces are polar, with a net density of excess charge that can be simply determined by using the ideal (integer) formal valence charges, regardless of the predominant covalent character of the bonding in these materials. We justify this finding on fundamental physical grounds by analyzing the topology of the formal polarization lattice in the parent bulk materials. First-principles calculations elucidate an electronic compensation mechanism not dissimilar to oxide interfaces, which is triggered by a Zener-like charge transfer between interfaces of opposite polarity. In particular, we predict the emergence of one-dimensional electron and hole gases, which in some cases are ferromagnetic half metallic.

Item Type: Article
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QC Physics > QC176 Solid state physics
Q Science > QD Chemistry > QD478 Solid State Chemistry
Q Science > QD Chemistry > QD473 Physical properties in relation to structure
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Nicholas Bristowe
Date Deposited: 21 Feb 2017 14:41 UTC
Last Modified: 22 Feb 2017 15:22 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/60258 (The current URI for this page, for reference purposes)
Bristowe, N. C.: https://orcid.org/0000-0003-1286-8440
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