Effects of silver adatoms on the electronic structure of silicene

Applied Surface Science

Volumn 311, Issue , 2014, Pages 9-13

  Ersan, F ^a   Arslanalp, O ^a   Gokoglu G ^b   Akturk E ^a  

^a ADNAN MENDERES UNIVERSITY   (Turkey)

^b KARABUK UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Silicene; Silver adsorption

Indexed keywords

ADATOMS; ADSORPTION; BINDING ENERGY; CALCULATIONS; CHARGE TRANSFER; CHEMICAL BONDS; DIMERS; ELECTRONIC STRUCTURE; FERMI LEVEL; NARROW BAND GAP SEMICONDUCTORS; SILICENE;

AG ADATOMS; ANTIBONDING; FERMI-LEVEL SHIFTS; FIRST PRINCIPLES; NARROW-GAP SEMICONDUCTORS; NONMAGNETIC METALS; NONMAGNETICS; PLANE WAVE CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84903388338     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.04.176     Document Type: Article

References (29)

1. S. Cahangirov, M. Topsakal, E. Aktürk, H. Sahin, and S. Ciraci Two- and one-dimensional honeycomb structures of silicon and germanium Phys. Rev. Lett. 102 2009 236804
2. P. De Padova et al. Evidence of graphene-like electronic signature in silicene nanoribbons Appl. Phys. Lett. 96 2010 261905
3. T.H. Osborn, and A.A. Farajian Stability of lithiated silicene from first principles J. Phys. Chem. C 116 2012 22916
4. A.K. Singh, V. Kumar, R. Note, and Y. Kawazoe Effects of morphology and doping on the electronic and structural properties of hydrogenated silicon nanowires Nano Lett. 6 2006 920
5. A. Yamakage, M. Ezawa, Y. Tanaka, and N. Nagaosa Charge transport in pn and npn junctions of silicene Phys. Rev. B 88 2013 085322
6. B. Bishnoi, and B. Ghosh Spin transport in silicene and germanene RSC Adv. 3 2013 26153
7. C.-C. Liu, W. Feng, and Y. Yao Quantum spin hall effect in silicene and two-dimensional germanium Phys. Rev. Lett. 107 2011 076802
8. B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and B. Aufray Epitaxial growth of a silicene sheet Appl. Phys. Lett. 97 2010 223109
9. G. Le Lay et al. Physics and chemistry of silicene nano-ribbons Appl. Surf. Sci. 256 2009 524
10. L. Meng, Y. Wang, L. Zhang, S. Du, R. Wu, L. Li, Y. Zhang, G. Li, H. Zhou, W.A. Hofer, and H.-J. Gao Buckled silicene formation on Ir(1 1 1) Nano Lett. 13 2 2013 685
11. A. Fleurence, R. Friedlein, T. Ozaki, H. Kawai, Y. Wang, and Y. Yamada-Takamura Experimental evidence for epitaxial silicene on diboride thin films Phys. Rev. Lett. 108 2012 245501
12. T.H. Osborn, A.A. Farajian, O.V. Pupysheva, R.S. Aga, and L.C. Lew Yan Voon Ab initio simulations of silicene hydrogenation Chem. Phys. Lett. 511 2011 101
13. G.-H. Kim, and S. Jeong Binding of Ag adatoms to dangling bond defects on a H-terminated Si(0 0 1) surface J. Korean Phys. Soc. 56 4 2010 1180
14. E. Durgun, D.I. Bilc, S. Ciraci, and Ph. Ghosez Hydrogen-saturated silicon nanowires heavily doped with interstitial and substitutional transition metals J. Phys. Chem. C 116 2012 15713
15. X. Lin, and J. Ni Much stronger binding of metal adatoms to silicene than to graphene: a first-principles study Phys. Rev. B 86 2012 075440
16. F.-B. Zheng, and C.-W. Zhang The electronic and magnetic properties of functionalized silicene: a first-principles study NRL 7 2012 422
17. V. Ongun Özcelik, and S. Ciraci Local reconstructions of silicene induced by adatoms J. Phys. Chem. C 117 49 2013 26305
18. T. Hussain, S. Chakraborty, and R. Ahuja Metal-functionalized silicene for efficient hydrogen storage ChemPhysChem 14 2013 3463 3466
19. 2 (X = F, OH) monolayer J. Am. Chem. Soc. 134 2012 16909 16916
20. S. Egger, R.P. Lehmann, M.J. Height, M.J. Loessner, and M. Schuppler Antimicrobial properties of a novel silver-silica nanocomposite material Appl. Environ. Microbiol. 75 9 2009 2973
21. C. Baker, A. Pradhan, L. Pakstis, D.J. Pochan, and S. Ismat Shah Synthesis and antibacterial properties of silver nanoparticles J. Nanosci. Nanotechnol. 5 2 2005 244
22. H.C. Kim, T.L. Alford, and D.R. Allee Thickness dependence on the thermal stability of silver thin films Appl. Phys. Lett. 81 2002 4287
23. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865
24. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, and R.M. Wentzcovitch QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials J. Phys.: Condens. Matter 21 2009 395502
25. H.J. Monkhorst, and J.D. Pack On special points for Brillouin zone integrations Phys. Rev. B 13 1976 5188
26. C.G. Broyden The convergence of a class of double-rank minimization algorithms 1. General considerations J. Inst. Math. Appl. 6 1970 76 90
27. Q. Tang, and Z. Zhou Graphene-analogous low-dimensional materials Prog. Mater. Sci. 58 2013 1244 1315
28. Z. Ni, H. Zhong, X. Jiang, R. Quhe, Y. Wang, J. Shi, and J. Lu Tunable Band Gap and Doping Type in Silicene by Surface Adsorption: towards Tunneling Transistors 2013 arXiv:1312.4226
29. K. Momma, and F. Izumi VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data J. Appl. Crystallogr. 44 2011 1272 1276