Structure, magnetism, and conductivity in epitaxial Ti -doped α- Fe2 O3 hematite: Experiment and density functional theory calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 10, 2007, Pages

  Droubay, T ^a   Rosso, K M ^a   Heald, S M ^c   McCready, D E ^b   Wang, C M ^b   Chambers, S A ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33947274524     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.104412     Document Type: Article

References (23)

1. P. Robinson, R. J. Harrison, S. A. McEnroe, and R. B. Hargraves, Am. Mineral. AMMIAY 0003-004X 89, 725 (2004).
2. P. F. McDonald, A. Parasiris, R. K. Pandey, B. L. Gries, and W. P. Kirk, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.347379 69, 1104 (1991).
3. H. Muta, K. Kurosaki, M. Uno, and S. Yamanaka, J. Alloys Compd. JALCEU 0925-8388 335, 200 (2002).
4. C. J. Sartoretti, B. D. Alexander, R. Solarska, W. A. Rutkowska, J. Augustynski, and R. Cerny, J. Phys. Chem. JPCHAX 0022-3654 109, 13685 (2005).
5. A. Bandyopadhyay, J. Velev, W. H. Butler, S. K. Sarker, and O Bengone, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.174429 69, 174429 (2004);
6. J. Velev, A. Bandyopadhyay, W. H. Butler, and S. K. Sarker, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.205208 71, 205208 (2005).
7. W. H. Butler, A. Bandyopadhyay, and R. Srinivasan, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1556127 93, 7882 (2003).
8. F. J. Berry, C. Greaves, O. Helgason, J. McManus, H. M. Palmer, and R. T. Williams, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1999.8605 151, 157 (2000).
9. N. C. Wilson, J. Muscat, D. Mkhonto, P. E. Ngoepe, and N. M. Harrison, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075202 71, 075202 (2005).
10. S. A. Chambers, Y. Liang, and Y. Gao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.13223 61, 13223 (2000).
11. S. A. Chambers, S. Thevuthasan, R. F. C. Farrow, R. F. Marks, J. U. Thiele, L. Folks, M. G. Samant, A. J. Kellock, N. Ruzycki, D. L. Ederer, and U. Diebold, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1420434 79, 3467 (2001).
12. V. R. Saunders, R. Dovesi, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, N. M. Harrison, K. Doll, B. Civalleri, I. J. Bush, P. D'Arco, and M. Llunell, CRYSTAL03 User's Manual (University of Torino, Torino, 2003).
13. N. Iordanova, M. Dupuis, and K. M. Rosso, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1869492 122, 144305 (2005).
14. M. Catti, G. Valerio, and R. Dovesi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.7441 51, 7441 (1995).
15. E. Apra, Ph.D Thesis (University of Torino, 1992).
16. P. Durand and J. C. Barthelat, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF00963468 38, 283 (1975).
17. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
18. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
19. C. M. Carmichael, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 263, 508 (1961).
20. Y. Gao and S. A. Chambers, J. Cryst. Growth JCRGAE 0022-0248 10.1016/S0022-0248(96)01141-4 174, 446 (1997).
21. T. Droubay and S. A. Chambers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.205414 64, 205414 (2001).
22. R. J. Lad and V. E. Henrich, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.13478 39, 13478 (1989).
23. J. J. Rehr, J. M. Deleon, S. I. Zabinsky, and R. C. Albers, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00014a001 113, 5135 (1991).