Tunable electronic structures and magnetism in arsenene nanosheets via transition metal doping

Journal of Materials Science

Volumn 51, Issue 20, 2016, Pages 9504-9513

  Du, Juan ^a   Xia, Congxin ^a   An, Yipeng ^a   Wang, Tianxing ^a   Jia, Yu ^b  

^a HENAN NORMAL UNIVERSITY   (China)

^b ZHENGZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MAGNETIC SEMICONDUCTORS; MANGANESE; NANOSHEETS; SEMICONDUCTOR DOPING; TRANSITION METALS;

ANTIFERROMAGNETIC COUPLING; DILUTE MAGNETIC SEMICONDUCTORS; ELECTRONIC AND MAGNETIC PROPERTIES; FERROMAGNETIC COUPLING; FIRST PRINCIPLES METHOD; SEMI-CONDUCTING PROPERTY; STABLE CONFIGURATION; TRANSITION METAL DOPING;

MAGNETISM;

EID: 84978139086     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-016-0194-z     Document Type: Article

References (43)

1. 2 transistors. Nat Nanotechnol 6:147–150
2. Wang Q, Kalantar-Zadeh K, Kis A, Coleman JN, Strano MS (2012) Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat Nanotechnol 7:699–712
3. Xia F, Farmer DB, Lin Y, Avouris P (2010) Graphene field-effect transistors with high on/off current ratio and large transport band gap at room temperature. Nano Lett 10:715–718
4. Bernardi M, Palummo M, Grossman JC (2013) Extraordinary sunlight absorption and one nanometer thick photovoltaics using two-dimensional monolayer materials. Nano Lett 13:3664–3670
5. Jariwala D, Sangwan VK, Lauhon LJ, Marks TJ, Hersam MC (2014) Emerging device applications for semiconducting two-dimensional transition metal dichalcogenides. ACS Nano 8:1102–1120
6. Bonaccorso F, Sun Z, Hasan T, Ferrari AC (2010) Graphene photonics and optoelectronics. Nat photonics 4:611–622
7. 3 (X = Si, Ge) nanosheets: two dimensional intrinsic ferromagnetic semiconductors. J Mater Chem C 2:7071–7076
8. 2 by optical helicity. Nat Nanotechnol 7:494–498
9. 2 monolayers. Phys Chem Chem Phys 13:15546–15553
10. Zheng H, Zhang J, Yang S, Du X, Yan Y (2015) A first-principles study on the magnetic properties of nonmetal atom doped phosphorene monolayers. Phys Chem Chem Phys 17:16341–16350
11. 2 nanosheets. J Am Chem Soc 137:2622–2627
12. Ataca C, Ciraci S (2010) Functionalization of BN honeycomb structure by adsorption and substitution of foreign atoms. Phys Rev B 82:165402
13. Srivastava P, Hembram KPSS, Mizuseki H, Lee KR, Han SS, Kim S (2015) Tuning the electronic and magnetic properties of phosphorene by vacancies and adatoms. J Phys Chem C 119:6530–6538
14. Bekaroglu E, Topsakal M, Cahangirov S, Ciraci S (2010) First-principles study of defects and adatoms in silicon carbide honeycomb structures. Phys Rev B 81:075433
15. Kamal C, Ezawa M (2015) Arsenene: two-dimensional buckled and puckered honeycomb arsenic systems. Phys Rev B 91:085423
16. Zhu Z, Guan J, Tománek D (2015) Strain-induced metal-semiconductor transition in monolayers and bilayers of gray arsenic: a computational study. Phys Rev B 91:161404
17. Wang Y, Zhang C, Ji W, Wang P (2015) Unexpected band structure and half-metal in non-metal-doped arsenene sheet. Appl Phys Express 8:065202
18. Wang Y, Ding Y (2015) Electronic structure and carrier mobilities of arsenene and antimonene nanoribbons: a first-principle study. Nanoscale Res Lett 10:1–10
19. Xia C, Xue B, Wang T, Peng Y, Jia Y (2015) Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures. Appl Phys Lett 107:193107
20. Du J, Xia C, Wang T, Zhao X, Tan X, Wei S (2016) First-principles studies on substitutional doping by group IV and VI atoms in the two-dimensional arsenene. Appl Surf Sci 378:350–356
21. Yazyev OV, Helm L (2007) Defect-induced magnetism in graphene. Phys Rev B 75:125408
22. Yang J, Kim D, Hong J, Qian X (2010) Magnetism in boron nitride monolayer: adatom and vacancy defect. Surf Sci 604:1603–1607
23. Lehtinen PO, Foster AS, Ayuela A, Krasheninnikov A, Nordlund K, Nieminen RM (2003) Magnetic properties and diffusion of adatoms on a graphene sheet. Phys Rev Lett 91:017202
24. Cao C, Wu M, Jiang J, Cheng H (2010) Transition metal adatom and dimer adsorbed on graphene: induced magnetization and electronic structures. Phys Rev B 81:205424
25. Santos EJG, Sánchez-Portal D, Ayuela A (2010) Magnetism of substitutional Co impurities in graphene: realization of single π vacancies. Phys Rev B 81:125433
26. 0 magnetism in II–VI and III–V semiconductors by substitutional doping at anion site. Phys Rev B 81:125211
27. 2 monolayers (X = S, Se) and their strain-induced tunable magnetic properties. ACS Nano 6:1695–1701
28. Huang B, Yu J, Wei S (2011) Strain control of magnetism in graphene decorated by transition-metal atoms. Phys Rev B 84:075415
29. 2. Appl Surf Sci 361:199–205
30. Cai Y, Ke Q, Zhang G, Zhang Y (2015) Energetics, charge transfer and magnetism of small molecules physisorbed on phosphorene. J Phys Chem C 119:3102–3110
31. Khan I, Hong J (2015) Manipulation of magnetic state in phosphorene layer by non-magnetic impurity doping. New J Phys 17:023056
32. Zhang S, Hu Y, Hu Z, Cai B, Zeng H (2015) Hydrogenated arsenenes as planar magnet and Dirac material. Appl Phys Lett 107:022102
33. Li Z, Xu W, Yu Y, Du H, Zhen K, Wang J, Luo L, Qiu H, Yang X (2016) Monolayer hexagonal arsenene with tunable electronic structures and magnetic properties via impurity doping. J Mater Chem C 4:362–370
34. Li Y, Xia C, Wang T, Tan X, Zhao X, Wei S (2016) Light adatoms influences on electronic structures of the two-dimensional arsenene nanosheets. Solid State Commun 230:6–10
35. Hashmi A, Hong J (2015) Transition metal doped phosphorene: first-principles study. J Phys Chem C 119:9198–9204
36. Yu W, Zhu Z, Niu C, Li C, Cho J, Jia Y (2016) Dilute magnetic semiconductor and half-Metal behaviors in 3d transition-metal doped black and blue phosphorenes: a first-principles study. Nanoscale Res Lett 11:1–9
37. Zhou Y, Dong J, Wang Z, Xiao H, Gao F, Zu X (2010) Electronic and magnetic properties of metal-doped BN sheet: a first-principles study. Phys Chem Chem Phys 12:7588–7592
38. 2 systems. Phys Rev B 87:100401
39. Kresse G, Hafner J (1994) Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. Phys Rev B 49:14251–14269
40. Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169–11186
41. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868
42. Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953–17979
43. Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188–5192