The electronic and magnetic properties of functionalized silicene: A first-principles study

Nanoscale Research Letters

Volumn 7, Issue , 2012, Pages

  Zheng, Fu bao ^a   Zhang, Chang wen ^a  

^a UNIVERSITY OF JINAN   (China)

Author keywords

Curie temperature; Ferromagnetism; First principles calculation; Silicene

Indexed keywords

BROMINE; CRYSTAL ATOMIC STRUCTURE; CURIE TEMPERATURE; FERROMAGNETIC MATERIALS; FERROMAGNETISM; HYDROGEN; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; SILICENE;

ANTIFERROMAGNETIC BEHAVIORS; ELECTRONIC AND MAGNETIC PROPERTIES; FERROMAGNETIC ORDERINGS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HALF-METALLIC PROPERTIES; SEMICONDUCTING BEHAVIOR; TOTAL ENERGY CALCULATION;

CALCULATIONS;

EID: 84866124162     PISSN: 19317573     EISSN: 1556276X     Source Type: Journal    
DOI: 10.1186/1556-276X-7-422     Document Type: Article

References (23)

1. Geim AK, Novoselov KS: The rise of graphene. Nature Mater 2007, 6:183-191.
2. Nakano H, Mitsouka T, Harada M, Horibuchi K, Nozaki H, Takahashi N, Nonaka T, Seno Y, Nakamura H: Soft synthesis of single-crystal silicon monolayer sheets. Angew Chem 2006, 118:6451-6454.
3. Aufray B, Kara A, Vizzini S, Oughaddou H, Léandri C, Ealet B, Lay GL: Graphene-like silicon nanoribbons on Ag (110): a possible formation of silicene. Appl Phys Lett 2010, 96:183102.
4. De Padova P, Quaresima C, Ottaviani C, Sheverdyaeva PM, Moras P, Carbone C, Topwal D, Olivieri B, Kara A, Oughaddou H, Aufray B, Lay GL: Evidence of graphene-like electronic signature nanoribbons. Appl Phys Lett 2010, 96:261905.
5. Zhang CW, Yan SS, Wang PJ, Li P, Zheng FB: First-principles study on the electronic and magnetic properties of hydrogenated CdS nanosheets. J Appl Phys 2011, 109:094304.
6. Golberg D, Bando Y, Huang Y, Terao T, Mitome M, Tang CC, Zhi CY: Boron nitride nanotubes and nanosheets. ACS Nano 2010, 4(6):2979-2993.
7. Zhou J, Wang Q, Sun Q, Jena P: Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine. Phys Rev B 2010, 81:085442.
8. Zhang CW, Zheng FB: First-principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets. J Comput Chem 2011, 32:3122-3128.
9. Wang Y, Ding Y, Shi S, Tang W: Electronic structures of graphane sheets with foreign atom substitutions. Appl Phys Lett 2011, 98:163104.
10. Lu N, Li ZY, Yang JL: Electronic structure engineering via on-plane chemical functionalization: a comparison study on two-dimensional polysilane and graphane. J Phys Chem C 2011, 113:16741-16746.
11. Jose D, Datta A: Molecular rotor inside a phosphonate cavitand: role of supramolecular interactions. Phys Chem Chem Phys 2010, 13:7237.
12. Kresse G, Hafner J: Ab initio molecular dynamics for liquid metals. Phys Rev B 1993, 47:558-561.
13. Kresse G, Joubert D: From ultrasoft pseudopotentials to the projector augmentedwave method. Phys Rev B 1999, 59:1758-1775.
14. Monkhorst HJ, Pack JD: Special points for Brillouin-zone integrations. Phys Rev B 1976, 13:5188-5192.
15. Lebègue S, Eriksson O: Electronic structure of two-dimensional crystals from ab initio theory. Phys Rev B 2009, 79:115409(1)-115409(4).
16. Cahangirov S, Topsakal M, Akturk E, Sahin H, Ciraci S: Two-and one-dimensional honeycomb structures of silicon and germanium. Phys Rev Lett 2009, 102:236804(1)-236804(4).
17. Kudrnovsky J, Turek I, Drchal V, Maca F, Weinberger P, Bruno P: Exchange interactions in III-V and group-IV diluted magnetic semiconductors. Phys Rev B 2004, 69:115208(1)-115208(11).
18. Zhou J, Wang Q, Sun Q, Chen XS, Kawazoe Y, Jena P: Ferromagnetism in semihydrogenated graphene sheet. Nano Lett 2009, 9:3867-3870.
19. Zhou J, Wu M, Zhou X, Sun Q: Tuning electronic and magnetic properties of graphene by surface modification. Appl Phys Lett 2009, 95:103108.
20. Yaya A, Ewels CP, Suarez-Martinez I, Wagner P, Lefrant S, Okotrub A, Bulusheva L, Briddon PR: Bromination of graphene and graphite. Phys Rev B 2011, 83:045411.
21. Gao N, Zheng WT, Jiang Q: Density functional theory calculations for twodimensional silicene with halogen functionalization. Phys Chem Chem Phys 2012, 14:257-261.
22. John NS, Kulkarni GU, Datta A, Pati SK, Komori F, Kavitha G, Narayana C, Sanyal MK: Magnetic interactions in layered nickel alkanethiolates. J Phys Chem C 2007, 111:1868-1870.
23. Zhang CW, Wang PJ, Li P, Zheng FB: First-principles study on the electronic and magnetic properties of hydrogenated CdS nanosheets. J Appl Phys 2011, 109:094304.