Atomically thin dilute magnetism in Co-doped phosphorene

Physical Review B - Condensed Matter and Materials Physics

Volumn 91, Issue 15, 2015, Pages

  Seixas, L ^a   Carvalho, A ^a   Castro Neto, A H ^a,b  

^a National University of Singapore   (Singapore)

^b BOSTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84929120906     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.91.155138     Document Type: Article

References (43)

1. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Zener model description of ferromagnetism in zinc-blende magnetic semiconductors, Science 287, 1019 (2000). SCIEAS 0036-8075 10.1126/science.287.5455.1019
2. H. Ohno, D. Chiba, F. Matsukura, T. Omiya, E. Abe, T. Dietl, Y. Ohno, and K. Ohtani, Electric-field control of ferromagnetism, Nature (London) 408, 944 (2000). NATUAS 0028-0836 10.1038/35050040
3. H. Ohno, Making nonmagnetic semiconductors ferromagnetic, Science 281, 951 (1998). 10.1126/science.281.5379.951
4. K. Sato, L. Bergqvist, J. Kudrnovský, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, First-principles theory of dilute magnetic semiconductors, Rev. Mod. Phys. 82, 1633 (2010). RMPHAT 0034-6861 10.1103/RevModPhys.82.1633
5. A. Zunger, S. Lany, and H. Raebiger, The quest for dilute ferromagnetism in semiconductors: guides and misguides by theory, Physics 3, 53 (2010). 1943-2879 10.1103/Physics.3.53
6. T. Dietl, A ten-years perspective on dilute magnetic semiconductors and oxides, Nat. Mater. 9, 965 (2010). 1476-1122 10.1038/nmat2898
7. Y. Matsumoto, M. Murakami, T. Shono, T. Hasegawa, T. Fukumura, M. Kawasaki, P. Ahmet, T. Chikyow, S. Koshihara, and H. Koinuma, Room temperature ferromagnetism in transparent transition metal-doped titanium dioxide, Science 291, 854 (2001). SCIEAS 0036-8075 10.1126/science.1056186
8. J. M. Coey, M. Venkatesan, and C. B. Fitzgerald, Donor impurity band exchange in dilute ferromagnetic oxides, Nat. Mater. 4, 173 (2005). 1476-1122 10.1038/nmat1310
9. I. Žutić, J. Fabian, and S. Das Sarma, Spintronics: Fundamentals and applications, Rev. Mod. Phys. 76, 323 (2004). RMPHAT 0034-6861 10.1103/RevModPhys.76.323
10. K. S. Novoselov, A. K. Geim, S. Morozov, D. Jiang, Y. Zhang, S. Dubonos, I. Grigorieva, and A. Firsov, Electric field effect in atomically thin carbon films, Science 306, 666 (2004). SCIEAS 0036-8075 10.1126/science.1102896
11. A. H. Castro Neto, F. Guinea, N. Peres, K. S. Novoselov, and A. K. Geim, The electronic properties of graphene, Rev. Mod. Phys. 81, 109 (2009). RMPHAT 0034-6861 10.1103/RevModPhys.81.109
12. K. S. Novoselov, D. Jiang, F. Schedin, T. Booth, V. Khotkevich, S. Morozov, and A. K. Geim, Two-dimensional atomic crystals, Proc. Natl. Acad. Sci. USA 102, 10451 (2005). PNASA6 0027-8424 10.1073/pnas.0502848102
13. K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Atomically thin (Equation presented): A new direct-gap semiconductor, Phys. Rev. Lett. 105, 136805 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.136805
14. D. J. Priour Jr., E. H. Hwang, and S. Das Sarma, Quasi-two-dimensional diluted magnetic semiconductor systems, Phys. Rev. Lett. 95, 037201 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.037201
15. E. Z. Meilikhov and R. M. Farzetdinova, Quasi-two-dimensional diluted magnetic semiconductors with arbitrary carrier degeneracy, Phys. Rev. B 74, 125204 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.74.125204
16. A. Ramasubramaniam and D. Naveh, Mn-doped monolayer (Equation presented): An atomically thin dilute magnetic semiconductor, Phys. Rev. B 87, 195201 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.195201
17. K. R. Kittilstved and D. R. Gamelin, Activation of (Equation presented) ferromagnetism in (Equation presented)-doped ZnO using amines, J. Am. Chem. Soc. 127, 5292 (2005). JACSAT 0002-7863 10.1021/ja050723o
18. Y. Rao, H. Xu, Y. Liang, and S. Hark, Synthesis, micro-structural and magnetic properties of mn-doped ZnO nanowires, Cryst. Eng. Commun. 13, 2566 (2011). 1466-8033 10.1039/c0ce00730g
19. J. H. Park, M. G. Kim, H. M. Jang, S. Ryu, and Y. M. Kim, Co-metal clustering as the origin of ferromagnetism in co-doped ZnO thin films, Appl. Phys. Lett. 84, 1338 (2004). APPLAB 0003-6951 10.1063/1.1650915
20. C. Echeverría-Arrondo, J. Pérez-Conde, and A. Ayuela, Antiferromagnetic order in (Ga, Mn)N nanocrystals: A density functional theory study, Phys. Rev. B 82, 205419 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.205419
21. C. Echeverría-Arrondo, J. Pérez-Conde, and A. Ayuela, Antiferromagnetism in nanofilms of Mn-doped GaN, J. Phys. Chem. C 118, 18064 (2014). 1932-7447 10.1021/jp501387c
22. A. S. Rodin, A. Carvalho, and A. H. Castro Neto, Strain-induced gap modification in black phosphorus, Phys. Rev. Lett. 112, 176801 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.176801
23. H. Liu, A. T. Neal, Z. Zhu, Z. Luo, X. Xu, D. Tománek, and P. D. Ye, Phosphorene: An unexplored 2d semiconductor with a high hole mobility, ACS Nano 8, 4033 (2014). 1936-0851 10.1021/nn501226z
24. L. Li, Y. Yu, G. J. Ye, Q. Ge, X. Ou, H. Wu, D. Feng, X. H. Chen, and Y. Zhang, Black phosphorus field effect transistor, Nat. Nanotechnol. 9, 372 (2014). 1748-3387 10.1038/nnano.2014.35
25. Y. Liu, F. Xu, Z. Zhang, E. S. Penev, and B. I. Yakobson, Two-dimensional mono-elemental semiconductor with electronically inactive defects: the case of phosphorus, Nano Lett. 14, 6782 (2014). NALEFD 1530-6984 10.1021/nl5021393
26. W. Zhou, X. Zou, S. Najmaei, Z. Liu, Y. Shi, J. Kong, J. Lou, P. M. Ajayan, B. I. Yakobson, J.-C. Idrobo, Intrinsic structural defects in monolayer molybdenum disulfide, Nano Lett. 13, 2615 (2013). NALEFD 1530-6984 10.1021/nl4007479
27. P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136, B864 (1964). PHRVAO 0031-899X 10.1103/PhysRev.136.B864
28. W. Kohn and L. J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
29. G. Kresse and J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54, 11169 (1996). PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
30. G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B 59, 1758 (1999). PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
31. P. E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994). PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
32. J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
33. J. Heyd, G. E. Scuseria, and M. Ernzerhof, Hybrid functionals based on a screened Coulomb potential, J. Chem. Phys. 118, 8207 (2003) JCPSA6 0021-9606 10.1063/1.1564060;
34. J. Heyd, G. E. Scuseria, and M. Ernzerhof J. Chem. Phys., 124, 219906 (E) (2006). JCPSA6 0021-9606 10.1063/1.2204597
35. H. J. Monkhorst and J. D. Pack, Special points for brillouin-zone integrations, Phys. Rev. B 13, 5188 (1976). 1098-0121 10.1103/PhysRevB.13.5188
36. K. Momma and F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data, J. Appl. Crystallogr. 44, 1272 (2011). JACGAR 0021-8898 10.1107/S0021889811038970
37. J. Coutinho, V. J. B. Torres, R. Jones, and P. R. Briddon, Electrical activity of chalcogen-hydrogen defects in silicon, Phys. Rev. B 67, 035205 (2003). PRBMDO 1098-0121 10.1103/PhysRevB.67.035205
38. A. Carvalho and A. H. Castro Neto, Donor and acceptor levels in semiconducting transition-metal dichalcogenides, Phys. Rev. B 89, 081406 (R) (2014). PRBMDO 1098-0121 10.1103/PhysRevB.89.081406
39. V. V. Kulish, O. I. Malyi, C. Persson, and P. Wu, Adsorption of metal adatoms on single-layer phosphorene, Phys. Chem. Chem. Phys. 17, 992 (2015). PPCPFQ 1463-9076 10.1039/C4CP03890H
40. L. Seixas, A. S. Rodin, A. Carvalho, and A. H. Castro Neto, Exciton binding energy and luminescence in phosphorene under pressure, Phys. Rev. B 91, 115437 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.91.115437
41. M. Tinkham, Group Theory and Quantum Mechanics (McGraw-Hill, New York, 1964).
42. C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C. G. van de Walle, First-principles calculations for point defects in solids, Rev. Mod. Phys. 86, 253 (2014). RMPHAT 0034-6861 10.1103/RevModPhys.86.253
43. A. Alkauskas, P. Broqvist, and A. Pasquarello, Defect energy levels in density functional calculations: Alignment and band gap problem, Phys. Rev. Lett. 101, 046405 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.046405.