Electric-field-gradient calculations using the projector augmented wave method

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 23, 1998, Pages 14690-14697

  Petrilli, Helena M ^a   Blöchl, Peter E ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001018791     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.14690     Document Type: Article

References (47)

1. P. Blaha, K. Schwarz, and P. Herzig, Phys. Rev. Lett. 54, 1192 (1985).
2. K. Schwarz and P. Blaha, Z. Naturforsch. Teil A 47, 197 (1992).
3. M. Methfessel and S. Frota-Pessôa, J. Phys.: Condens. Matter 2, 149 (1990).
4. H. M. Petrilli, M. Marszalek, and H. Saitovich, Z. Naturforsch. Teil A 51, 537 (1996).
5. H. M. Petrilli and S. Frota-Pessôa, J. Phys.: Condens. Matter 2, 135 (1990).
6. For a review of the field see H. Akai, M. Akai, S. Blügel, B. Drittler, H. Ebert, K. Terakura, R. Zeller, and P. H. Dederichs, Prog. Theor. Phys. Suppl. 101, 11 (1990).
7. D. E. Ellis, D. Guenzburger, and H. B. Jansen, Phys. Rev. B 28, 3697 (1983), and references therein.
8. V. Sliwko, P. Mohn, and K. Schwarz, J. Phys.: Condens. Matter 6, 6557 (1994).
9. A. Pösinger et. al Hyperfine Interact. 94, 2093 (1994).
10. B. Meyer, K. Hummler, C. Elsässer, and M. Fähnle, J. Phys.: Condens. Matter 7, 9201 (1995).
11. P. Dufek, P. Blaha, and K. Schwarz, Phys. Rev. Lett. 75, 3545 (1995).
12. P. E. Blöchl, Phys. Rev. B 50, 17 953 (1994).
13. M. H. Cohen and F. Reif, in Solid State Physics, edited by F. Seitz and D. Turnbull (Academic, New York, 1957), Vol. 5, p. 322.
14. P. Blaha, D. J. Singh, P. I. Sorantin, and K. Schwarz, Phys. Rev. B 46, 1321 (1992).
15. P. Blaha and K. Schwarz, J. Mol. Struct. 261, 355 (1992).
16. CRC Handbook of Chemistry and Physics, edited by D. R. Lide (CRC Press, Boca Raton, 1995).
17. E. W. Kaiser, J. Chem. Phys. 53, 1686 (1970).
18. R. Bersohn, J. Chem. Phys. 36, 3445 (1962), and references therein.
19. R. L. Collins, J. Chem. Phys. 42, 1072 (1964).
20. R. Greatrex and N. N. Greenwood, Discuss. Faraday Soc. 47, 126 (1969).
21. A. Temperley and H. Lefevre, J. Phys. Chem. Solids 27, 85 (1965).
22. Y. Gros and J. Pauleve, J. Phys. (Paris) 31, 459 (1970).
23. R. Vaughan and H. Drickamer, J. Chem. Phys. 47, 1530 (1967).
24. C. Gabathuler, E. E. Hundt, and E. Brun, in Magnetic Resonance and Related Phenomena, edited by V. Hovi (North-Holland, Amsterdam, 1973), p. 499.
25. H. Krüger and U. Meyer-Berkhout, Z. Phys. 132, 171 (1952).
26. T. Kushida, G. B. Benedek, and N. Bloembergen, Phys. Rev. 104, 1364 (1956).
27. J. Lewis and D. Schwarzenbach, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. A37, 507 (1981).
28. R. O. Jones and O. Gunnaarsson, Rev. Mod. Phys. 61, 689 (1989).
29. O. Kanert and H. Kolem, J. Phys. C 21, 3909 (1988).
30. J. F. Higgs and A. Anderson, Phys. Status Solidi B 129, 569 (1985).
31. E. D. Stevens, M. L. DeLucia, and P. Coppens, Inorg. Chem. 19, 813 (1980).
32. M. J. Buerger, Am. Mineral. 16, 361 (1931).
33. H. Watanabe, H. Yamamoto, and K. Ito, J. Phys. Soc. Jpn. 18, 995 (1963).
34. L. W. Finger and R. M. Hazen, J. Appl. Phys. 51, 5362 (1980).
35. T. M. Sabine and C. J. Howard, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. B38, 701 (1982).
36. Z. G. Pinsker and R. M. Imamov, Kristallografiya9, 334 (1964).
37. H. Schulz and K. Schwarz, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. A34, 999 (1978).
38. D. Braga, F. Grepioni, and A. G. Orpen, Organometallics 12, 1481 (1993).
39. R. Boese and D. Baser, Z. Kristallogr. 193, 189 (1990).
40. P. Margl, K. Schwarz, and P. E. Blöchl, J. Chem. Phys. 100, 8194 (1994).
41. H. Stammreich et. al J. Chem. Phys. 32, 1482 (1960).
42. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
43. P. E. Blöchl, J. Chem. Phys. 10, 7422 (1995).
44. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
45. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
46. A. D. Becke, J. Chem. Phys. 96, 2155 (1992).
47. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).