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

被引:26
作者
Bristowe, N. C. [1 ,2 ]
Stengel, Massimiliano [3 ,4 ]
Littlewood, P. B. [1 ,5 ]
Artacho, Emilio [1 ,6 ,7 ]
Pruneda, J. M. [8 ,9 ]
机构
[1] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
[2] Univ Liege, B-4000 Sart Tilman Par Liege, Belgium
[3] Inst Catalana Recerca & Estudis Avancats, Barcelona 08010, Spain
[4] CSIC, Inst Ciencia Mat Barcelona, Bellaterra 08193, Spain
[5] Argonne Natl Lab, Argonne, IL 60439 USA
[6] CIC Nanogune & DIPC, San Sebastian 20018, Spain
[7] Basque Fdn Sci Ikerbasque, Bilbao 48011, Spain
[8] ICN2 Inst Catala Nanociencia & Nanotecnol, Bellaterra, Barcelona, Spain
[9] CSIC, Bellaterra 08193, Barcelona, Spain
基金
英国工程与自然科学研究理事会;
关键词
BORON-NITRIDE; WANNIER FUNCTIONS; GRAPHENE;
D O I
10.1103/PhysRevB.88.161411
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
收藏
页数:5
相关论文
共 40 条
[1]   Systematic generation of finite-range atomic basis sets for linear-scaling calculations [J].
Anglada, E ;
Soler, JM ;
Junquera, J ;
Artacho, E .
PHYSICAL REVIEW B, 2002, 66 (20) :1-4
[2]   Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride [J].
Bernardi, Marco ;
Palummo, Maurizia ;
Grossman, Jeffrey C. .
PHYSICAL REVIEW LETTERS, 2012, 108 (22)
[3]   The net charge at interfaces between insulators [J].
Bristowe, N. C. ;
Littlewood, P. B. ;
Artacho, Emilio .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (08)
[4]   Oxide superlattices with alternating p and n interfaces [J].
Bristowe, N. C. ;
Artacho, Emilio ;
Littlewood, P. B. .
PHYSICAL REVIEW B, 2009, 80 (04)
[5]   Self-assembly of periodic bicomponent wires and ribbons [J].
Canas-Ventura, Marta E. ;
Xiao, Wende ;
Wasserfallen, Daniel ;
Muellen, Klaus ;
Brune, Harald ;
Barth, Johannes V. ;
Fasel, Roman .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (11) :1814-1818
[6]  
Ci L, 2010, NAT MATER, V9, P430, DOI [10.1038/nmat2711, 10.1038/NMAT2711]
[7]   Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials [J].
Coleman, Jonathan N. ;
Lotya, Mustafa ;
O'Neill, Arlene ;
Bergin, Shane D. ;
King, Paul J. ;
Khan, Umar ;
Young, Karen ;
Gaucher, Alexandre ;
De, Sukanta ;
Smith, Ronan J. ;
Shvets, Igor V. ;
Arora, Sunil K. ;
Stanton, George ;
Kim, Hye-Young ;
Lee, Kangho ;
Kim, Gyu Tae ;
Duesberg, Georg S. ;
Hallam, Toby ;
Boland, John J. ;
Wang, Jing Jing ;
Donegan, John F. ;
Grunlan, Jaime C. ;
Moriarty, Gregory ;
Shmeliov, Aleksey ;
Nicholls, Rebecca J. ;
Perkins, James M. ;
Grieveson, Eleanor M. ;
Theuwissen, Koenraad ;
McComb, David W. ;
Nellist, Peter D. ;
Nicolosi, Valeria .
SCIENCE, 2011, 331 (6017) :568-571
[8]   Boron nitride substrates for high-quality graphene electronics [J].
Dean, C. R. ;
Young, A. F. ;
Meric, I. ;
Lee, C. ;
Wang, L. ;
Sorgenfrei, S. ;
Watanabe, K. ;
Taniguchi, T. ;
Kim, P. ;
Shepard, K. L. ;
Hone, J. .
NATURE NANOTECHNOLOGY, 2010, 5 (10) :722-726
[9]   Graphitic nanofilms as precursors to wurtzite films: Theory - art. no. 066102 [J].
Freeman, CL ;
Claeyssens, F ;
Allan, NL ;
Harding, JH .
PHYSICAL REVIEW LETTERS, 2006, 96 (06)
[10]   Peculiar localized state at zigzag graphite edge [J].
Fujita, M ;
Wakabayashi, K ;
Nakada, K ;
Kusakabe, K .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1996, 65 (07) :1920-1923