Multiple Dirac Points and Hydrogenation-Induced Magnetism of Germanene Layer on Al (111) Surface

Journal of Physical Chemistry Letters

Volumn 6, Issue 24, 2015, Pages 4936-4942

  Liu, G ^a,b   Liu, S B ^a   Xu, B ^b   Ouyang, C Y ^b   Song, H Y ^a   Guan, S ^c,d   Yang, Shengyuan A ^c  

^a BEIJING UNIVERSITY OF TECHNOLOGY   (China)

^b JIANGXI NORMAL UNIVERSITY   (China)

^c SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

^d BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Dirac point; germanene; graphene; semi metal

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; GERMANIUM; GRAPHENE; HYDROGENATION; PHOTONIC BAND GAP;

ANISOTROPIC DISPERSION; DIRAC POINT; FIRST-PRINCIPLES CALCULATION; GERMANENE; LATTICE STRUCTURES; MASSLESS DIRAC FERMIONS; SPIN-ORBIT COUPLINGS; STRUCTURAL AND ELECTRONIC PROPERTIES;

ALUMINUM;

EID: 84951767067     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b02413     Document Type: Article

References (49)

1. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric Field Effect in Atomically Thin Carbon Films Science 2004, 306, 666-669 10.1126/science.1102896
2. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Katsnelson, M. I.; Grigorieva, I. V.; Dubonos, S. V.; Firsov, A. A. Two-dimensional Gas of Massless Dirac Fermions in Graphene Nature 2005, 438, 197-200 10.1038/nature04233
3. Geim, A. K. Graphene: Status and Prospects Science 2009, 324, 1530-1534 10.1126/science.1158877
4. Yan, R.; Zhang, Q.; Kirillov, O. A.; Li, W.; Basham, J.; Boosalis, A.; Liang, X. L.; Jena, D.; Richter, C. A.; Seabaugh, A. C. et al. Graphene as Transparent Electrode for Direct Observation of Hole Photoemission from Silicon to Oxide Appl. Phys. Lett. 2013, 102, 123106-123110 10.1063/1.4796169
5. Park, Y. J.; Lee, S. K.; Kim, M. S.; Kim, H.; Ahn, J. H. Graphene-based Conformal Devices ACS Nano 2014, 8, 7655-7662 10.1021/nn503446f
6. Zhang, Y.; Tan, Y. W.; Stormer, H. L.; Kim, P. Experimental Observation of The Quantum Hall Effect and Berry's Phase in Graphen Nature 2005, 438, 201-204 10.1038/nature04235
7. Ni, Z.; Liu, Q.; Tang, K.; Zheng, J.; Zhou, J.; Qin, R.; Gao, Z.; Yu, D.; Lu, J. Tunable Bandgap in Silicene and Germanene Nano Lett. 2012, 12, 113-118 10.1021/nl203065e
8. Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V. V.; Stesmans, A. Electronic Properties of Hydrogenated Silicene and Germanene Appl. Phys. Lett. 2011, 98, 223107-223109 10.1063/1.3595682
9. O'Hare, A.; Kusmartsev, F. V.; Kugel, K. I. A Stable "Flat" Form of Two-dimensional Crystals: Could Graphene, Silicene, Germanene Be Minigap Semiconductors? Nano Lett. 2012, 12, 1045-1052 10.1021/nl204283q
10. Wang, X. Q.; Li, H. D.; Wang, J. T. Induced Ferromagnetism in One-side Semihydrogenated Silicene and Germanene Phys. Chem. Chem. Phys. 2012, 14, 3031-3036 10.1039/c2cp23385a
11. Cai, Y.; Chuu, C.-P.; Wei, C. M.; Chou, M. Y. Stability and Electronic Properties of Two-dimensional Silicene and Germanene on Graphene Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 245408-245413 10.1103/PhysRevB.88.245408
12. Zhang, L.; Bampoulis, P.; van Houselt, A.; Zandvliet, H. J. W. Two-dimensional Dirac Signature of Germanene Appl. Phys. Lett. 2015, 107, 111605-111608 10.1063/1.4931102
13. 2Pt Crystals on Ge (110) J. Phys.: Condens. Matter 2014, 26, 442001-442005 10.1088/0953-8984/26/44/442001
14. Li, L.; Lu, S.; Pan, J.; Qin, Z.; Wang, Y.; Wang, Y.; Cao, G.; Du, S.; Gao, H. Buckled Germanene Formation on Pt (111) Adv. Mater. 2014, 26, 4820-4824 10.1002/adma.201400909
15. Derivaz, M.; Dentel, D.; Stephan, R.; Hanf, M.-C.; Mehdaoui, A.; Sonnet, P.; Pirri, C. Continuous Germanene Layer on Al (111) Nano Lett. 2015, 15, 2510-2516 10.1021/acs.nanolett.5b00085
16. Cahangirov, S.; Topsakal, M.; Aktürk, E.; Sahin, H.; Ciraci, S. Two- and One-dimensional Honeycomb Structures of Silicon and Germanium Phys. Rev. Lett. 2009, 102, 236804-236807 10.1103/PhysRevLett.102.236804
17. Liu, C. C.; Feng, W. X.; Yao, Y. G. Quantum Spin Hall Effect in Silicene and Two-dimensional Germanium Phys. Rev. Lett. 2011, 107, 076802-076805 10.1103/PhysRevLett.107.076802
18. Wang, Y.; Ding, Y. Strain-induced Self-doping in Silicene and Germanene from First-principles Solid State Commun. 2013, 155, 6-11 10.1016/j.ssc.2012.10.044
19. Ni, Z.; Minamitani, E.; Ando, Y.; Watanabe, S. The Electronic Structure of Quasi-free-standing Germanene on Monolayer MX (M = Ga, In; X = S, Se, Te) Phys. Chem. Chem. Phys. 2015, 17, 19039-19044 10.1039/C5CP02428E
20. Si, C.; Liu, J.; Xu, Y.; Wu, J.; Gu, B.-L.; Duan, W. Functionalized Germanene As a Prototype of Large-gap Two-dimensional Topological Insulators Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 89, 115429-115433 10.1103/PhysRevB.89.115429
21. Li, S.-S.; Zhang, C.-W.; Ji, W.-X.; Li, F.; Wang, P.-J.; Hu, S.-J.; Yan, S.-S.; Liu, Y.-S. Tunable Electronic and Magnetic Properties in Germanene by Alkali, Alkaline-earth, Group III and 3d Transition Metal Atom Adsorption Phys. Chem. Chem. Phys. 2014, 16, 15968-15978 10.1039/C4CP01211A
22. Pang, Q.; Li, L.; Zhang, C.-L.; Wei, X.-M.; Song, Y.-L. Structural, Electronic and Magnetic Properties of 3d Transition Metal Atom Adsorbed Germanene: A First-principles Study Mater. Chem. Phys. 2015, 160, 96-104 10.1016/j.matchemphys.2015.04.011
23. Kaloni, T. P. Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3d Transition Metal Atoms J. Phys. Chem. C 2014, 118, 25200-25208 10.1021/jp5058644
24. Ye, M.; Quhe, R.; Zheng, J.; Ni, Z.; Wang, Y.; Yuan, Y.; Tse, G.; Shi, J.; Gao, Z.; Lu, J. Tunable Band Gap in Germanene by Surface Adsorption Phys. E 2014, 59, 60-65 10.1016/j.physe.2013.12.016
25. Li, Y.; Chen, Z. Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A Computational Study J. Phys. Chem. C 2014, 118, 1148-1154 10.1021/jp411783q
26. Bianco, E.; Butler, S.; Jiang, S.; Restrepo, O. D.; Windl, W.; Goldberger, J. E. Stability and Exfoliation of Germanane: A Germanium Graphane Analogue ACS Nano 2013, 7, 4414-4421 10.1021/nn4009406
27. Dávila, M. E.; Xian, L.; Cahangirov, S.; Rubio, A.; Le Lay, G. Germanene: A Novel Two-dimensional Germanium Allotrope Akin to Graphene and Silicene New J. Phys. 2014, 16, 095002-095011 10.1088/1367-2630/16/9/095002
28. Acun, A.; Zhang, L.; Bampoulis, P.; Farmanbar, M.; van Houselt, A.; Rudenko, A. N.; Lingenfelder, M.; Brocks, G.; Poelsema, B.; Katsnelson, M. I. et al. Germanene: the Germanium Analogue of Graphene J. Phys.: Condens. Matter 2015, 27, 443002-443012 10.1088/0953-8984/27/44/443002
29. Li, L.; Zhao, M. First-principles Identifications of Superstructures of Germanene on Ag (111) Surface and h-BN Substrate Phys. Chem. Chem. Phys. 2013, 15, 16853-16863 10.1039/c3cp52619d
30. Houssa, M.; Scalise, E.; van den Broek, B.; Lu, A.; Pourtois, G.; Afanas'ev, V. V.; Stesmans, A. Interaction of Silicene and Germanene with Non-metallic Substrates J. Phys.: Conf. Ser. 2015, 574, 012015 10.1088/1742-6596/574/1/012015
31. Malko, D.; Neiss, C.; Viñes, F.; Görling, A. Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones Phys. Rev. Lett. 2012, 108, 086804-086807 10.1103/PhysRevLett.108.086804
32. Huang, H.; Duan, W.; Liu, Z. The Existence/Absence of Dirac Cones in Graphynes New J. Phys. 2013, 15, 023004-023016 10.1088/1367-2630/15/2/023004
33. Xu, L.-C.; Wang, R.-Z.; Miao, M.-S.; Wei, X.-L.; Chen, Y.-P.; Yan, H.; Lau, W.-M.; Liu, L.-M.; Ma, Y.-M. Two Dimensional Dirac Carbon Allotropes from Graphene Nanoscale 2014, 6, 1113-1118 10.1039/C3NR04463G
34. Zhou, X.-F.; Dong, X.; Oganov, A. R.; Zhu, Q.; Tian, Y.; Wang, H.-T. Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions Phys. Rev. Lett. 2014, 112, 085502-085506 10.1103/PhysRevLett.112.085502
35. Lu, Y.; Zhou, D.; Chang, G.; Guan, S.; Chen, W.; Jiang, Y.; Jiang, J.; Lin, H.; Wang, X.-S.; Yang, S. A.; et al., Unpinned Dirac Fermion States in 2D Materials with Phosphorene Lattice Structure. 2015, arXiv:1509.05629. arXiv.org e-Print archive. http://arxiv.org/abs/1509.05629 (accessed November 2015).
36. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558-561 10.1103/PhysRevB.47.558
37. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials To the Projector Augmented-wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
38. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
39. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouinzone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
40. Seixas, L.; Padilha, J. E.; Fazzio, A. Quantum Spin Hall Effect on Germanene Nanorod Embedded in Completely Hydrogenated Germanene Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 89, 195403-195407 10.1103/PhysRevB.89.195403
41. Wang, Y.-P.; Cheng, H.-P. Absence of A Dirac Cone in Silicene on Ag(111): First-principles Density Functional Calculations With a Modified Effective Band Structure Technique Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 245430-245434 10.1103/PhysRevB.87.245430
42. Huang, S.; Kang, W.; Yang, L. Electronic Structure and Quasiparticle Bandgap of Silicene Structures Appl. Phys. Lett. 2013, 102, 133106-133110 10.1063/1.4801309
43. Liu, Q.; Zhang, X.; Abdalla, L. B.; Fazzio, A.; Zunger, A. Switching a Normal Insulator into a Topological Insulator via Electric Field with Application to Phosphorene Nano Lett. 2015, 15, 1222-1228 10.1021/nl5043769
44. Cheianov, V. V.; Fal'ko, V.; Altshuler, B. L. The Focusing of Electron Flow and a Veselago Lens in Graphene p-n Junctions Science 2007, 315, 1252-1255 10.1126/science.1138020
45. Liu, C.-C.; Jiang, H.; Yao, Y. Low-energy Effective Hamiltonian Involving Spin-orbit Coupling in Silicene and Two-dimensional Germanium and Tin Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 84, 195430-195440 10.1103/PhysRevB.84.195430
46. Elias, D. C.; Nair, R. R.; Mohiuddin, T.M. G.; Morozov, S. V.; Blake, P.; Halsall, M. P.; Ferrari, A. C.; Boukhvalov, D. W.; Katsnelson, M. I.; Geim, A. K. et al. Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane Science 2009, 323, 610-613 10.1126/science.1167130
47. 0 Ferromagnetism Solid State Sci. 2005, 7, 660-667 10.1016/j.solidstatesciences.2004.11.012
48. Houssa, M.; Pourtois, G.; Afanas'ev, V. V.; Stesmans, A. Can Silicon Behave Like Graphene? A First-principles Study Appl. Phys. Lett. 2010, 97, 112106-112109 10.1063/1.3489937
49. Tao, L.; Cinquanta, E.; Chiappe, D.; Grazianetti, C.; Fanciulli, M.; Dubey, M.; Molle, A.; Akinwande, D. Silicene Field-effect Transistors Operating at Room Temperature Nat. Nanotechnol. 2015, 10, 227-231 10.1038/nnano.2014.325