First-principles investigation of the bulk and low-index surfaces of MoSe2

Physical Review B - Condensed Matter and Materials Physics

Volumn 89, Issue 20, 2014, Pages

  Mirhosseini, Hossein ^a   Roma, Guido ^a,b   Kiss, Janos ^c   Felser, Claudia ^c  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^c MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84900516780     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.89.205301     Document Type: Article

References (59)

1. A. Splendiani, L. Sun, Y. Zhang, T. Li, J. Kim, C.-Y. Chim, G. Galli, and F. Wang, Nano Lett. 10, 1271 (2010). NALEFD 1530-6984 10.1021/nl903868w
2. H. R. Gutiérrez, N. Perea-López, A. L. Elías, A. Berkdemir, B. Wang, R. Lv, F. López-Urías, V. H. Crespi, H. Terrones, and M. Terrones, Nano Lett. 13, 3447 (2013). NALEFD 1530-6984 10.1021/nl3026357
3. S. Tongay, J. Zhou, C. Ataca, K. Lo, T. S. Matthews, J. Li, J. C. Grossman, and J. Wu, Nano Lett. 12, 5576 (2012). NALEFD 1530-6984 10.1021/nl302584w
4. D. Xiao, G.-B. Liu, W. Feng, X. Xu, and Wang Yao, Phys. Rev. Lett. 108, 196802 (2012) 10.1103/PhysRevLett.108.196802.
5. K. F. Mak, K. He, J. Shan, and T. F. Heinz, Nat. Nanotechnol. 7, 494 (2012). 1748-3387 10.1038/nnano.2012.96
6. M. Bowker, Chem. Soc. Rev. 36, 1656 (2007). 0306-0012 10.1039/b412139m
7. D. Kong, H. Wang, J. J. Cha, M. Pasta, K. J. Koski, J. Yao, and Y. Cui, Nano Lett. 13, 1341 (2013). NALEFD 1530-6984 10.1021/nl400258t
8. D. Kong, J. J. Cha, H. Wang, H. R. Lee, and Y. Cui, Energy Environ. Sci. 6, 3553 (2013). 1754-5692 10.1039/c3ee42413h
9. H. Topsøe, B. S. Clausen, and F. E. Massoth, in Catalysis, edited by J. Anderson and M. Boudart, Catalysis-Science and Technology Vol. 11 (Springer, Berlin, Heidelberg, 1996), pp. 1-269.
10. S. Nishiwaki, N. Kohara, T. Negami, and T. Wada, Jpn. J. Appl. Phys. 37, L71 (1998). JAPLD8 0021-4922 10.1143/JJAP.37.L71
11. T. Wada, N. Kohara, S. Nishiwaki, and T. Negami, Thin Solid Films 387, 118 (2001). THSFAP 0040-6090 10.1016/S0040-6090(00)01846-0
12. N. Kohara, S. Nishiwaki, Y. Hashimoto, T. Negami, and T. Wada, Sol. Energy Mater. Sol. Cells 67, 209 (2001). SEMCEQ 0927-0248 10.1016/S0927-0248(00) 00283-X
13. R. Würz, D. F. Marrón, A. Meeder, A. Rumberg, S. Babu, T. Schedel-Niedrig, U. Bloeck, P. Schubert-Bischoff, and M. Lux-Steiner, Thin Solid Films 431, 398 (2003). THSFAP 0040-6090 10.1016/S0040-6090(03)00261-X
14. D. Abou-Ras, G. Kostorz, D. Bremaud, M. Kälin, F. Kurdesau, A. Tiwari, and M. Döbeli, Thin Solid Films 480, 433 (2005). THSFAP 0040-6090 10.1016/j.tsf.2004.11.098
15. J. Pang, Y. Cai, Q. He, H. Wang, W. Jiang, J. He, T. Yu, W. Liu, Y. Zhang, and Y. Sun, Physics Procedia 32, 372 (2012). 1875-3892 10.1016/j.phpro.2012.03.571
16. T. Böker, R. Severin, A. Müller, C. Janowitz, R. Manzke, D. Voß, P. Krüger, A. Mazur, and J. Pollmann, Phys. Rev. B 64, 235305 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.235305
17. X. Huang, Z. Zeng, and H. Zhang, Chem. Soc. Rev. 42, 1934 (2013). 0306-0012 10.1039/c2cs35387c
18. P. Raybaud, J. Hafner, G. Kresse, and H. Toulhoat, Surf. Sci. 407, 237 (1998). SUSCAS 0039-6028 10.1016/S0039-6028(98)00195-2
19. A. Jäger-Waldau, M. Lux-Steiner, R. Jäger-Waldau, R. Burkhardt, and E. Bucher, Thin Solid Films 189, 339 (1990). THSFAP 0040-6090 10.1016/0040-6090(90)90463-N
20. T. C. Bernede, J. Pouzet, and Z. K. Alaoui, Appl. Phys. A 51, 155 (1990). APSFDB 0721-7250 10.1007/BF00324281
21. A. Malloukyand and J. C. Bernede, Thin Solid Films 158, 285 (1988). THSFAP 0040-6090 10.1016/0040-6090(88)90032-6
22. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. D. Corso, S. de Gironcoli, S. Fabris, G. Fratesi, 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, J. Phys.: Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
23. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
24. R. Sabatini, E. Küçükbenli, B. Kolb, T. Thonhauser, and S. de Gironcoli, J. Phys.: Condens. Matter 24, 424209 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/42/424209
25. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
26. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
27. G. Roma and L. Chiodo, Phys. Rev. B 87, 245420 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.245420
28. G. Roma, E. Ghorbani, H. Mirhosseini, J. Kiss, T. D. Kühne, and C. Felser, Appl. Phys. Lett. 104, 061605 (2014). APPLAB 0003-6951 10.1063/1.4865764
29. J. P. Perdew, Phys. Rev. B 33, 8822 (1986). PRBMDO 0163-1829 10.1103/PhysRevB.33.8822
30. J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
31. M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
32. T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys. Rev. B 76, 125112 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76. 125112
33. Y. Zhang and W. Yang, Phys. Rev. Lett. 80, 890 (1998). PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
34. J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
35. H. Ding and B. Xu, J. Chem. Phys. 137, 224509 (2012). 10.1063/1.4770293
36. G. Graziano, J. Klimeš, F. Fernandez-Alonso, and A. Michaelides, J. Phys.: Condens. Matter 24, 424216 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/42/424216
37. J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008) 10.1103/PhysRevLett.100.136406.
38. S. Grimme, J. Comput. Chem. 27, 1787 (2006). JCCHDD 0192-8651 10.1002/jcc.20495
39. K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.081101
40. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
41. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
42. G. Román-Pérez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.096102
43. D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, Int. J. Quantum Chem. 101, 599 (2005). IJQCB2 0020-7608 10.1002/qua.20315
44. T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. Lett. 108, 235502 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108. 235502
45. T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, J. Phys.: Condens. Matter 24, 424218 (2012). JCOMEL 0953-8984 10.1088/0953-8984/ 24/42/424218
46. C. Espejo, T. Rangel, A. H. Romero, X. Gonze, and G. M. Rignanese, Phys. Rev. B 87, 245114 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.245114
47. R. Coehoorn, C. Haas, J. Dijkstra, C. J. F. Flipse, R. A. de Groot, and A. Wold, Phys. Rev. B 35, 6195 (1987). PRBMDO 0163-1829 10.1103/PhysRevB.35.6195
48. S. K. Mahatha, K. D. Patel, and K. S. R. Menon, J. Phys.: Condens. Matter 24, 475504 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/47/475504
49. T. Cheiwchanchamnangij and W. R. L. Lambrecht, Phys. Rev. B 85, 205302 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.205302
50. D. Y. Qiu, F. H. da Jornada, and S. G. Louie, Phys. Rev. Lett. 111, 216805 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.111.216805
51. H. Jiang, Phys. Chem. C 116, 7664 (2012). 1932-7447 10.1021/jp300079d
52. G.-X. Zhang, A. Tkatchenko, J. Paier, H. Appel, and M. Scheffler, Phys. Rev. Lett. 107, 245501 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.107.245501
53. P. Raybaud, J. Hafner, G. Kresse, S. Kasztelan, and H. Toulhoat, J. Catal. 189, 129 (2000). JCTLA5 0021-9517 10.1006/jcat.1999.2698
54. H. Schweiger, P. Raybaud, G. Kresse, and H. Toulhoat, J. Catal. 207, 76 (2002). JCTLA5 0021-9517 10.1006/jcat.2002.3508
55. J. Spies, R. Schafer, J. Wager, P. Hersh, H. Platt, D. Keszler, G. Schneider, R. Kykyneshi, J. Tate, X. Liu, A. Compaan, and W. Shafarman, Sol. Energy Mater. Sol. Cells 93, 1296 (2009). SEMCEQ 0927-0248 10.1016/j.solmat. 2009.01.024
56. J.-H. Yoon, J.-H. Kim, W. M. Kim, J.-K. Park, Y.-J. Baik, T.-Y. Seong, and J.-h. Jeong, Prog. Photovoltaics 22, 90 (2014). PPHOED 1062-7995 10.1002/pip.2377
57. Y. Li, Z. Zhou, S. Zhang, and Z. Chen, J. Am. Chem. Soc. 130, 16739 (2008). JACSAT 0002-7863 10.1021/ja805545x
58. A. R. Botello-Méndez, F. López-Urías, M. Terrones, and H. Terrones, Nanotechnol. 20, 325703 (2009). NNOTER 0957-4484 10.1088/0957-4484/20/32/325703
59. S. Tongay, S. S. Varnoosfaderani, B. R. Appleton, J. Wu, and A. F. Hebard, Appl. Phys. Lett. 101, 123105 (2012). APPLAB 0003-6951 10.1063/1.4753797