Ab initio strategy for muon site assignment in wide band gap fluorides

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 11, 2013, Pages

  Bernardini, F ^a   Bonfa P ^b   Massidda, S ^a   De Renzi, R ^b  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84875699072     PISSN: 24699950     EISSN: 24699969     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.115148     Document Type: Article

References (42)

1. A. Yaouanc and P. de Réotier, Muon Spin Rotation, Relaxation, and Resonance: Applications to Condensed Matter, International Series of Monographs on Physics (Oxford University Press, Oxford, 2010).
2. S. F. J. Cox, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/72/11/ 116501 72, 116501 (2009).
3. D. C. Walker, Muon and Muonium Chemistry (Cambridge University Press, Cambridge, 1983).
4. H. V. Alberto, R. C. Vilão, J. P. Duarte, J. M. Gil, A. Weidinger, J. S. Lord, and S. F. J. Cox, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86. 035203 86, 035203 (2012).
5. I. McKenzie, H. Dilger, E. Roduner, R. Scheuermann, and U. Zimmermann, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp0769882 112, 3070 (2008).
6. A. Stoykov, R. Scheuermann, K. Sedlak, J. Rodriguez, U. Greuter, and A. Amato, Phys. Procedia 1875-3892 10.1016/j.phpro.2012.04.028 30, 7 (2012).
7. S. Cox, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/20/22/005 20, 3187 (1987).
8. R. H. Heffner and K. Nagamine, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/40/e01 16, (2004).
9. E. Roduner, in Radiation Chemistry Present Status and Future Trends, Studies in Physical and Theoretical Chemistry Vol. 87, edited by, C. D. Jonah, and, B. M. Rao, (Elsevier, Amsterdam, 2001), pp. 83-106.
10. O. Hartmann, Hyperfine Interact. HYINDN 0304-3843 10.1007/BF02405136 49, 61 (1989).
11. J. H. Brewer, S. R. Kreitzman, D. R. Noakes, E. J. Ansaldo, D. R. Harshman, and R. Keitel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.33.7813 33, 7813 (1986).
12. J. H. Brewer, K. M. Crowe, F. N. Gygax, R. F. Johnson, B. D. Patterson, D. G. Fleming, and A. Schenck, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.31.143 31, 143 (1973).
13. T. Lancaster, S. J. Blundell, P. J. Baker, M. L. Brooks, W. Hayes, F. L. Pratt, J. L. Manson, M. M. Conner, and J. A. Schlueter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.267601 99, 267601 (2007).
14. C. G. Van de Walle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.64.669 64, 669 (1990).
15. M. Camani, F. N. Gygax, W. Rüegg, A. Schenck, and H. Schilling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.39.836 39, 836 (1977).
16. R. De Renzi, G. Guidi, P. Podini, R. Tedeschi, C. Bucci, and S. F. J. Cox, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.30.186 30, 186 (1984).
17. K. H. Chow, R. L. Lichti, R. F. Kiefl, S. Dunsiger, T. L. Estle, B. Hitti, R. Kadono, W. A. MacFarlane, J. W. Schneider, D. Schumann, and M. Shelley, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50.8918 50, 8918 (1994).
18. J. Brewer, R. Kiefl, J. Carolan, P. Dosanjh, W. Hardy, S. Kreitzman, Q. Li, T. Riseman, P. Schleger, H. Zhou Hyperfine Interact. HYINDN 0304-3843 10.1007/BF02396001 63, 177 (1991).
19. R. F. Kiefl, M. Celio, T. L. Estle, S. R. Kreitzman, G. M. Luke, T. M. Riseman, and E. J. Ansaldo, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.60.224 60, 224 (1988).
20. T. Estle, S. Estreicher, and D. Marynick, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.58.1547 58, 1547 (1987).
21. C. P. Herrero and R. Ramírez, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.205504 99, 205504 (2007). (Pubitemid 350127401)
22. R. Valladares, A. Fisher, and W. Hayes, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)00771-U 242, 1 (1995).
23. D. Cammarere, R. Scheicher, N. Sahoo, T. Das, and K. Nagamine, Physica B PHYBE3 0921-4526 10.1016/S0921-4526(00)00299-4 289-290, 636 (2000).
24. E. L. Silva, A. G. Marinopoulos, R. C. Vilão, R. B. L. Vieira, H. V. Alberto, J. Piroto Duarte, and J. M. Gil, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.165211 85, 165211 (2012).
25. R. Scheicher, D. Cammarere, N. Sahoo, T. Briere, F. Pratt, K. Nagamine, and T. Das, Physica B PHYBE3 0921-4526 10.1016/S0921-4526(02)01570-3 326, 30 (2003).
26. M. Manninen and P. F. Meier, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.26.6690 26, 6690 (1982).
27. A. R. Porter, M. D. Towler, and R. J. Needs, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.13534 60, 13534 (1999).
28. H. Maeter, H. Luetkens, Y. G. Pashkevich, A. Kwadrin, R. Khasanov, A. Amato, A. A. Gusev, K. V. Lamonova, D. A. Chervinskii, R. Klingeler, C. Hess, G. Behr, B. Buchner, and H. H. Klauss, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.094524 80, 094524 (2009).
29. A. Kerridge, A. H. Harker, and A. M. Stoneham, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/47/024 16, 8743 (2004).
30. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
31. 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. 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 JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
32. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
33. D. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.6388 43, 6388 (1991).
34. E. Sjöstedt, L. Nordström, and D. J. Singh, Solid State Commun. SSCOA4 0038-1098 10.1016/S0038-1098(99)00577-3 114, 15 (2000). (Pubitemid 30558755)
35. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, and J. Luitz, wien2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001), http://www.wien2k.at.
36. M. Bendele, A. Ichsanow, Y. Pashkevich, L. Keller, T. Strässle, A. Gusev, E. Pomjakushina, K. Conder, R. Khasanov, and H. Keller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.064517 85, 064517 (2012).
37. R. De Renzi, P. Bonfà, M. Mazzani, S. Sanna, G. Prando, P. Carretta, R. Khasanov, A. Amato, H. Luetkens, M. Bendele, F. Bernardini, S. Massidda, A. Palenzona, M. Tropeano, and M. Vignolo, Supercond. Sci. Technol. SUSTEF 0953-2048 10.1088/0953-2048/25/8/084009 25, 084009 (2012).
38. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sanchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002). (Pubitemid 34288362)
39. D. R. Noakes, E. J. Ansaldo, S. R. Kreitzman, and G. M. Luke, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(93)90246-N 54, 785 (1993).
40. G. Prando, P. Bonfà, G. Profeta, R. Khasanov, F. Bernardini, M. Mazzani, E. M. Brüning, A. Pal, V. P. S. Awana, H.-J. Grafe, B. Büchner, R. De Renzi, P. Carretta, and S. Sanna, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.064401 87, 064401 (2013).
41. G. Lamura, T. Shiroka, P. Bonfà, S. Sanna, F. Bernardini, R. De Renzi, R. Viennois, E. Giannini, A. Piriou, N. Emery, M. R. Cimberle, and M. Putti, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/25/15/156004 25, 156004 (2013).
42. J. S. Möller, D. Ceresoli, T. Lancaster, N. Marzari, and S. J. Blundell, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.87.121108 87, 121108 (R) (2013).