Polymorphism in ferroic functional elements

European Physical Journal: Special Topics

Volumn 149, Issue 1, 2007, Pages 145-171

  Gemming, S ^a   Luschtinetz, R ^b   Chaplygin, I ^b   Seifert, G ^b   Loppacher, C ^b   Eng, L M ^b   Kunze, T ^b,c   Olbrich, C ^c,d  

^a INSTITUTE OF ION BEAM PHYSICS AND MATERIALS RESEARCH   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

^d JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 35548976286     PISSN: 19516355     EISSN: 19516401     Source Type: Journal    
DOI: 10.1140/epjst/e2007-00248-x     Document Type: Article

References (113)

1. X.B. Lu, Z.G. Liu, X. Zhang, R. Huang, H.W. Zhou, X.P. Wang, B.-Y. Nguyen, J. Phys. D: Appl. Phys. 36, 3047 (2003)
2. Y.H. Liu, X.M. Chen, J. Inorg. Mater. 18, 325 (2003)
3. S. Ríos, A. Ruediger, A.Q. Jiang, J.F. Scott, H. Lu, Z. Chen,J. Phys.: Condens. Matter 15, L305 (2003)
4. R. Poyato, M.L. Calzada, L. Pardo, J. García López, M.A. Respaldiza, J. Eur. Ceram. Soc. 24, 1615 (2004)
5. X.H. Zhu, W. Peng, J. Miao, D.N. Zheng, Mater. Lett. 58, 2045 (2004)
6. Y. Hotta, G.W.J. Hassink, T. Kawai, H. Tabata, Jpn. J. Appl. Phys. 42, 5908 (2003)
7. K. Uchida, S. Tsuneyuki, Phys. Rev. B 68, 174107 (2003)
8. M. Krcmar, C.L. Fu, Phys. Rev. B 68, 115404 (2003)
9. C. Bungaro, K.M. Rabe, Phys. Rev. B 69, 184101 (2004)
10. M.G. Stacchiotti, Appl. Phys. Lett. 84, 251 (2004)
11. A. Antons, J.B. Neaton, K.M. Rabe, D. Vanderbilt,Phys. Rev. B 71, 024102 (2005)
12. S. Hyun, K. Char, Appl. Phys. Lett. 79, 254 (2001)
13. M. Fiebig, Th. Lottermoser, M.K. Kneip, M. Bayer, J. Appl. Phys. 99, 08E302 (2006)
14. K. Szot, W. Speier, G. Bihlmayer, R. Waser, Nat. Mat. 5, 312 (2006)
15. S. Dorfman, D. Fuks, E. Kotomin, Thin Solid Films 318, 65 (1998)
16. L.M. Eng, F. Schlaphof, S. Trogisch, A. Roelofs, R. Waser, Ferroelectrics 251, 11 (2001)
17. H. Zhang, Z. Yin, M.S. Zhang, Phys. Lett. A 310, 479 (2003)
18. W.-C. Yang, B.J. Rodriguez, A. Gruverman, R.J. Nemanrich, Appl. Phys. Lett. 85, 2316 (2004)
19. H. Kessler, H. Balke, J. Mech. Phys. Solids 54, 86 (2006)
20. R.O. Jones, O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989)
21. H. Eschrig, The Fundamentals of Density Functional Theory (Gutenbergplatz, Leipzig, 2003)
22. G. Onida, L. Reining, A. Rubio, Rev. Mod. Phys. 74, 601 (2002)
23. R.M. Dreizsler, E.K.U. Gross, Density Functional Theory (Springer, Berlin, 1990)
24. R.G. Parr, W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989)
25. I. Popov, T. Kunze, S. Gemming, G. Seifert, Eur. Phys. J. D (accepted)
26. A.P. Sutton, R.W. Balluffi, Interfaces in Crystalline Materials (Clarendon Press, Oxford, 1995)
27. A.M. Stoneham, J.H. Harding, Nat. Mater. 2, 65 (2003)
28. M.W. Finnis, Interatomic Forces in Condensed Matter (Oxford University Press, Oxford, 2003)
29. M. Radke de Cuba, S. Gemming, H. Emmerich, Eur. Phys. J. (this issue)
30. P. Hohenberg, W. Kohn, Phys. Rev. B 136, 864 (1964)
31. M. Levy, Phys. Rev. A 26, 1200 (1982)
32. U. von Barth, L. Hedin, J. Phys. C 5, 1629 (1972)
33. N.D. Mermin, Phys. Rev. 137, A1441 (1965)
34. S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58, 1200 (1980)
35. O. Gunnarson, M. Jonson, B.I. Lundqvist, Phys. Rev. B 20, 3136 (1979)
36. N.W. Ashcroft, N.D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976)
37. R. Car, M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985)
38. J.-M. Jancu, R. Scholz, F. Beltram, F. Bassani, Phys. Rev. B 57, 6493 (1998)
39. R. Scholz, J.-M. Jancu, F. Bassani, Mat. Res. Soc. Symp. Proc. 491, 383 (1998)
40. A. Di Carlo, Mat. Res. Soc. Symp. Proc. 491, 391 (1998)
41. C.Z. Wang, K.M. Ho, C.T. Chan, Phys. Rev. Lett. 70, 611 (1993)
42. P. Ordejón, D. Lebedenko, M. Menon, Phys. Rev. B 50, 5645 (1994)
43. M. Menon, K.R. Subbaswamy, Phys. Rev. B 55, 9231 (1997)
44. C.M. Goringe, D.R. Bowler, E. Hernandez, Rep. Prog. Phys. 60, 1447 (1997)
45. J.M. Knaup, C. Köhler, M. Hoffmann, P.H. König, Th. Frauenheim, Eur. Phys. J. (this issue)
46. T.A. Niehaus, S. Suhai, F. Della Sala, P. Lugli, M. Elstner, G. Seifert, T. Frauenheim, Phys. Rev. B 63, 085108 (2001)
47. A. Di Carlo, M. Gheorghe, P. Lugli, M. Sternberg, G. Seifert, T. Frauenheim, Physica B 314, 86 (2002)
48. A.M. Stoneham, P.W. Tasker, J. Phys. C: Solid State Phys. 18, L543 (1985)
49. M.W. Finnis, Acta Metall. Mater. 40, S25 (1992)
50. N.D. Lang, W. Kohn, Phys. Rev. B 7, 3541 (1973)
51. N.V. Smith, C.T. Chen, M. Weinert, Phys. Rev. B 40, 7565 (1989)
52. D.M. Duffy, J.H. Harding, A.M. Stoneham, Acta Metall. Mater. 40, S11 (1992)
53. D.M. Duffy, J.H. Harding, A.M. Stoneham, Phil. Mag. A 67, 865 (1993)
54. A.M. Stoneham, P.W. Tasker, Phil. Mag. B 55, 237 (1987)
55. U. Schoenberger, O.K. Andersen, M. Methfessel, Acta Metall. Mater. 40, S1 (1992)
56. J.R. Smith, T. Hong, D.J. Srolovitz, Phys. Rev. Lett. 72, 4021 (1994)
57. J. Purton, S.C. Parker, D.W. Bullett, J. Phys. Condens. Matter 9, 5709 (1997)
58. M.S. Daw, M.I. Baskes, Phys. Rev. Lett. 50, 1285 (1983)
59. M.S. Daw, M.I. Baskes, Phys. Rev. B 29, 6443 (1984)
60. M.W. Finnis, J.E. Sinclair, Phil. Mag. A 50, 45 (1984)
61. J.A. Moriarty, R. Phillips, Phys. Rev. Lett. 66, 3036 (1990)
62. J. Tersoff, Phys. Rev. B 38, 9902 (1988)
63. T. Ochs, O. Beck, C. Elsässer, B. Meyer, Phil. Mag. A 80, 351 (2000)
64. J.H. Harding, Rep. Prog. Phys. 53, 1403 (1990)
65. B.G. Dick, A.W. Overhauser, Phys. Rev. 112, 90 (1958)
66. C. Elsässer, A.G. Marinopoulos, Acta Mater. 49, 2951 (2001)
67. E. Heifets, E.A. Kotomin, R. Orlando, J. Phys. Condens. Matter 8, 6577 (1996)
68. K. Iwahori, S. Watanabe, T. Komeda, M. Kawai, A. Saito, Y. Kuwahara, M. Aono, Jpn. J. Appl. Phys. 38, 3946 (1999)
69. H.B. Moon, J.H. Cho, J.S. Ahn, J. Kor. Phys. Soc. 47, S251 (2005)
70. www.abinit.org; the ABINIT code is a common project of the Universite Catholique de Louvain, Corning Inc. and other contributors
71. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, Th. Frauenheim, S. Suhai, G. Seifert, Phys. Rev. B 58, 7260 (1998)
72. S. Gemming, M. Schreiber, Chem. Phys. 309, 3 (2005)
73. S. Gemming, G. Seifert, Acta Mater. (2006)
74. N.A. Spaldin, M. Fiebig, Science 309, 391 (2005)
75. A.M. Kadomtseva, Yu. F. Popov, A.P. Pyatakov, G.P. Vorobev,A.K. Zvezdin, D. Viehland, Phase Trans. 79, 1019 (2006)
76. K. Sawada, N. Nagaosa, Phys. Rev. Lett. 95, 237402 (2005)
77. K. Koepernik, H. Eschrig, Phys. Rev. B 59, 1743 (1999)
78. I. Opahle, K. Koepernik, H. Eschrig, Phys. Rev. B 60, 14035 (1999)
79. H. Eschrig, K. Koepernik, I. Chaplygin, J. Solid State Chem. 176, 482 (2003)
80. R.C. Rai, J. Cao, S. Brown, J.L. Musfeldt, D. Kasinathan, D.J. Singh,G. Lawes, N. Rogado, R.J. Cava, X. Wei, Phys. Rev. B 74, 235101 (2006)
81. P.W. Anderson, in Magnetism, Vol. 1, edited by G.T. Rado and H. Suhl (Academic Press, New York, 1963), p. 25
82. L. Capriotti, A. Cuccoli, V. Tognetti, P. Verruchi, R. Vaia, Phys. Rev. B 60, 7299 (1999)
83. L. Capriotti, R. Vaia, A. Cuccoli, V. Tognetti, Phys. Rev. B 58, 273 (1998)
84. Gaussian; Gaussian 03, Revision C.02, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople (Gaussian Inc., Wallingford CT, 2004)
85. J. Fabian, Theo. Chem. Acc. 106, 199 (2001)
86. M. Laicini, P. Spearman, S. Tavazzi, A. Borghesi, Phys. Rev. B 71, 045212 (2005)
87. A. Ozawa, K. Takmiya, T. Otsubo, T. Kobayashi, Chem. Phys. Lett. 409, 224 (2005)
88. D. Rohde, L. Dunsch, A. Tabet, H. Hartmann, J. Phys. Chem. B 110, 8223 (2006)
89. Y. Gao, C.G. Liu, Y.S. Liang, J. Phys. Chem. A 106, 5380 (2002)
90. S.A. McGill, S.G. Rao, P. Manandhar, P. Xiong, S. Hong, Appl. Phys. Lett. 89, 163123 (2006)
91. Z. Guo, P.J. Sadler, S.C. Tsang, Adv. Mater. 10, 701 (1998)
92. D. Nepal, J.-I. Sohn, W.K. Aicher, S. Lee, K.E. Geckeler, Biomacromolecules 6, 2919 (2005)
93. S.R. Vogel, M.M. Kappes, F. Hennrich, C. Richert, Chem. Eur. J. 13, 1815 (2007)
94. T. Okada, T. Kaneko, R. Hatekeyama, K. Tohji,Chem. Phys. Lett. 417, 288 (2006)
95. M.J. O'Connell, P. Boul, L.M. Ericson, C. Huffman, Y. Wang, E. Haroz,C. Kuper, J. Tour, K.D. Ausman, R.E. Smalley, Chem. Phys. Lett. 342, 265 (2001)
96. M. Zheng, A. Jagota, E.D. Semke, B.A. Diner, R.S. Mclean, S.R. Lustig, R.E. Richardson, N.G. Tassi, Nat. Mater. 2, 338 (2003)
97. X. Huang, R.S. Mclean, M. Zheng, Anal. Chem. 77, 6225 (2005)
98. A.N. Enyashin, S. Gemming, G. Seifert, Nanotechnology (accepted)
99. S.R. Lustig, A. Jagota, C. Khripin, M. Zheng, J. Phys. Chem. B 109, 2559 (2005)
100. H. Gao, Y. Kong, D. Cui, C.S. Ozkan, Nano Lett. 3, 471 (2003)
101. E.Y. Lau, F.C. Lightstone, M.E. Colvin, Chem. Phys. Lett. 412, 82 (2005)
102. G. Lu, P. Maragakis, E. Kaxiras, Nano Lett. 5, 897 (2005)
103. A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard III, W.M. Skiff, J. Am. Chem. Soc. 114, 10024 (1992)
104. J. Tersoff, R.S. Ruoff, Phys. Rev. Lett. 73, 676 (1994)
105. M. Monthioux, B.W. Smith, B. Burteaux, A. Claye, J.E. Fischer,D.E. Luzzi, Carbon 39, 1251 (2001)
106. M. Endo, H. Muramatsu, T. Hayashi, Y.A. Kim, M. Terrones, M.S. Dresselhaus, Nature 433, 476 (2005)
107. N. Metropolis, S. Ulam, J. Am. Stat. Assoc. 44, 335 (1949)
108. J. Hoshen, R. Kopelman, Phys. Rev. B 14, 3438 (1976)
109. R. Scholz, A.Y. Kobitski, D.R.T. Zahn, M. Schreiber, Phys. Rev. B 72, 245208 (2005); H.L. Skriver, N.M. Rosengaard, Phys. Rev. B 46, 7157 (1992)
110. L. Onsager, Phys. Rev. 65, 117 (1944)
111. C.N. Yang, Phys. Rev. 85, 808 (1952)
112. C. Domb, P. Sykes, Proc. R. Soc. Lond. A 240, 214 (1957)
113. C. Loppacher, U. Zerweck, L.M. Eng, S. Gemming, G. Seifert, C. Olbrich, K. Morawetz, M. Schreiber, Nanotechnology 17, 1568 (2006)