Antiphase domain boundaries at the Fe 3O 4(001) surface

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 19, 2012, Pages

  Parkinson, Gareth S ^a   Manz, Thomas A ^b   Novotný, Zbyněk ^a   Sprunger, Phillip T ^c   Kurtz, Richard L ^c   Schmid, Michael ^a   Sholl, David S ^b   Diebold, Ulrike ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b Georgia Institute of Technology   (United States)

^c LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84861653153     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.195450     Document Type: Article

References (44)

1. R. M. Cornell and U. Schwertmann, The Iron Oxides: Structure, Properties, Reactions, Occurrences and Uses (Wiley-VCH, Weinheim, 2003).
2. P. Tartaj, M. P. Morales, T. Gonzalez-Carreño, S. Veintemillas-Verdaguer, and C. J. Serna, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.201101368 23, 5243 (2011).
3. E. J. W. Verwey, Nature (London) 0028-0836 10.1038/144327b0 144, 327 (1939).
4. F. Walz, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/ 12/203 14, R285 (2002). (Pubitemid 34325596)
5. M. Coey, Nature (London) NATUAS 0028-0836 10.1038/430155a 430, 155 (2004). (Pubitemid 38902415)
6. V. V. Shchennikov and S. V. Ovsyannikov, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/27/271001 21, 271001 (2009).
7. J. Blasco, J. García, and G. Subías, Phys. Rev. B 1098-0121 10.1103/PhysRevB.83.104105 83, 104105 (2011).
8. M. S. Senn, J. P. Wright, and J. P. Attfield, Nature (London) 0028-0836 10.1038/nature10704 481, 173 (2012).
9. P. Piekarz, K. Parlinski, and A. M. Ole, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.97.156402 97, 156402 (2006). (Pubitemid 44570422)
10. P. Piekarz, K. Parlinski, and A. M. Ole, Phys. Rev. B 1098-0121 10.1103/PhysRevB.76.165124 76, 165124 (2007).
11. K. Yamauchi, T. Fukushima, and S. Picozzi, Phys. Rev. B 10.1103/PhysRevB.79.212404 79, 212404 (2009).
12. T. Fukushima, K. Yamauchi, and S. Picozzi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.80.014709 80, 014709 (2011).
13. Z. Aodziana, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99. 206402 99, 206402 (2007). (Pubitemid 350113506)
14. N. Mulakaluri, R. Pentcheva, M. Wieland, W. Moritz, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.176102 103, 176102 (2009).
15. N. Mulakaluri, R. Pentcheva, and M. Scheffler, J. Phys. Chem. C JPCCCK 1932-7447 10.1021/jp100344n 114, 11148 (2010).
16. R. Pentcheva, F. Wendler, H. L. Meyerheim, W. Moritz, N. Jedrecy, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.126101 94, 126101 (2005). (Pubitemid 40629891)
17. R. Pentcheva, W. Moritz, J. Rundgren, S. Frank, D. Schrupp, and M. Scheffler, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2008.01.006 602, 1299 (2008).
18. R. Wiesendanger, I. V. Shvets, D. Bürgler, G. Tarrach, H. J. Güntherodt, J. M. D. Coey, and S. Gräser, Science SCIEAS 0036-8075 10.1126/science.255.5044.583 255, 583 (1992).
19. B. Stanka, W. Hebenstreit, U. Diebold, and S. A. Chambers, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(99)01182-6 448, 49 (2000). (Pubitemid 30557926)
20. S. F. Ceballos, G. Mariotto, K. Jordan, S. Murphy, C. Seoighe, and I. V. Shvets, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2003.10.041 548, 106 (2004).
21. G. S. Parkinson, Z. Novotný, P. Jacobson, M. Schmid, and U. Diebold, Surf. Sci. Lett. SUSCAS 0039-6028 10.1016/j.susc.2011.05.018 605, L42 (2011).
22. G. S. Parkinson, Z. Novotný, P. Jacobson, M. Schmid, and U. Diebold, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja203432e 133, 12650 (2011).
23. A. V. Mijiritskii, M. H. Langelaar, and D. O. Boerma, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/S0304-8853(99)00747-7 211, 278 (2000). (Pubitemid 30559089)
24. S. A. Chambers, S. Thevuthasan, and S. A. Joyce, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(00)00230-2 450, L273 (2000). (Pubitemid 30572288)
25. K. Jordan, A. Cazacu, G. Manai, S. F. Ceballos, S. Murphy, and I. V. Shvets, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.085416 74, 085416 (2006). (Pubitemid 44304308)
26. R. G. S. Sofin, S. K. Arora, and I. V. Shvets, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.83.134436 83, 134436 (2011).
27. D. T. Margulies, F. T. Parker, M. L. Rudee, F. E. Spada, J. N. Chapman, P. R. Aitchison, and A. E. Berkowitz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.5162 79, 5162 (1997).
28. F. C. Voogt, T. T. M. Palstra, L. Niesen, O. C. Rogojanu, M. A. James, and T. Hibma, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.R8107 57, R8107 (1998).
29. T. Hibma, F. C. Voogt, L. Niesen, P. A. A. van der Heijden, W. J. M. de Jonge, J. J. T. M. Donkers, and P. J. van der Zaag, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.369857 85, 5291 (1999).
30. G. S. Parkinson, N. Mulakaluri, Y. Losovyj, P. Jacobson, R. Pentcheva, and U. Diebold, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.82.125413 82, 125413 (2010).
31. P. Mori-Sánchez, A. J. Cohen, and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2403848 125, 201102 (2006). (Pubitemid 44847655)
32. T. Heaton-Burgess and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3445266 132, 234113 (2010).
33. D. van der Marel and G. A. Sawatzky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.10674 37, 10674 (1988).
34. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.1505 57, 1505 (1998).
35. T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. JCTCCE 1549-9618 10.1021/ct200539n 7, 4146 (2011).
36. M. J. Wenzel and G. Steinle-Neumann, Phys. Rev. B 10.1103/PhysRevB.75. 214430 75, 214430 (2007).
37. V. C. Rakhecha and N. S. Murthy, J. Phys. C: Solid State Phys. JPSOAW 0022-3719 10.1088/0022-3719/11/21/015 11, 4389 (1978).
38. T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. JCTCCE 1549-9618 10.1021/ct100125x 6, 2455 (2010).
39. R. F. W. Bader, P. J. MacDougall, and C. D. H. Lau, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00318a009 106, 1594 (1984).
40. P. J. MacDougall and R. F. W. Bader, Can. J. Chem. CJCHAG 0008-4042 10.1139/v86-246 64, 1496 (1986).
41. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.85.195450 for further details of the theoretical calculations.
42. Available at [ddec.sourceforge.net].
43. W. Tang, E. Sanville, and G. Henkelman, J. Phys.: Condens. Matter 10.1088/0953-8984/21/8/084204 21, 084204 (2009).
44. J. Tersoff and D. R. Hamann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.50.1998 50, 1998 (1983).