Zinc-blende half-metallic ferromagnets are rarely stabilized by coherent epitaxy

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 13, 2005, Pages

  Zhao, Yu Jun ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 28644434088     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.132403     Document Type: Article

References (44)

1. R. A. de Groot, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.50. 2024 50, 2024 (1983).
2. This refers to T=0, for at finite temperatures spin disorder (a), magnon (b), or phonon (b) lead to a reduction in spin polarization, as does a strong spin-orbital coupling (c). See (a) A. H. MacDonald, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.705 81, 705 (1998).
3. (b) P. A. Dowben and R. Skomski, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1682911 95, 7453 (2004).
4. (c) P. Mavropoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69. 054424 69, 054424 (2004).
5. R. Fiederling, Nature (London) NATUAS 0028-0836 10.1038/45502 402, 787 (1999).
6. Numerical Data and Functional Relationships in Science and Technology, Landolt-Börnstein, edited by, K.-H. Hellwege, Vol. III, (Springer-Verlag, Berlin, 1980).
7. N. E. Brener, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.16582 61, 16582 (2000).
8. J.-H. Park, Nature (London) NATUAS 0028-0836 10.1038/33883 392, 794 (1998);
9. J. Z. Sun, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.118031 69, 3266 (1996).
10. K. E. H. M. Hanssen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42. 1533 42, 1533 (1990).
11. M. Tanaka, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.112831 65, 1964 (1994).
12. A. K. Das, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91. 087203 91, 087203 (2003).
13. S. Sanvito and N. A. Hill, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.15553 62, 15553 (2000).
14. H. Akinaga, Jpn. J. Appl. Phys., Part 1 JAPNDE 0021-4922 10.1143/JJAP.39.L1118 39, L1118 (2000).
15. M. Mizuguchi, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/S0304- 8853(01)00568-6 239, 269 (2002).
16. M. Shirai, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1558604 93, 6844 (2003).
17. Y.-J. Zhao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.113202 65, 113202 (2002);
18. A. Continenza, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.085204 64, 085204 (2001).
19. A. Sakuma, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.71.2534 71, 2534 (2002).
20. W.-H. Xie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91. 037204 91, 037204 (2003);
21. W.-H. Xie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.134407 68, 134407 (2003);
22. B.-G. Liu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.172411 67, 172411 (2003);
23. Y.-Q. Xu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.184435 66, 184435 (2002).
24. I. Galanakis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.012406 66, 012406 (2002);
25. I. Galanakis and P. Mavropoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.104417 67, 104417 (2003).
26. B. Sanyal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.054417 68, 054417 (2003).
27. M. Zhang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/ 15/29/313 15, 5017 (2003).
28. J. E. Pask, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.224420 67, 224420 (2003).
29. J. H. Zhao, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1413732 79, 2776 (2001);
30. J. H. Zhao, Mater. Sci. Semicond. Process. MSSPFQ 1369-8001 10.1016/j.mssp.2003.07.008 6, 507 (2002).
31. V. H. Etgens, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92. 167205 92, 167205 (2004).
32. J. W. Matthews, in Dislocations in Solids, edited by, F. R. N. Nabarro, (North-Holland, Amsterdam, 1979).
33. S. Froyen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.38.10124 38, 10124 (1988).
34. A. Zunger, Handbook of Crystal Growth, edited by, D. T. J. Hurle, (Elsevier Science, Amsterdam, 1994), Vol. 3, p. 997.
35. A. Zunger and D. M. Wood, J. Cryst. Growth JCRGAE 0022-0248 10.1016/0022-0248(89)90180-2 98, 1 (1989).
36. V. Ozolins and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.767 82, 767 (1999).
37. K. Kim, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.R8449 60, R8449 (1999).
38. L. Däweritz, J. Cryst. Growth JCRGAE 0022-0248 227-228, 834 (2001).
39. J. Ihm, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/21/009 12, 4409 (1979).
40. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
41. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993);
42. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
43. The equilibrium NiAs-type CrSe was reported to be AFM by LAPW [see, Kawakami, J. Magn. Magn. Mater. JMMMDC 0304-8853 196-197, 629 (1999)].
44. We repeated the calculation with LAPW/GGA and found that FM is the ground state. The calculated equilibrium lattice constant is the same as that from our VASP PAW calculation. NiAs-type CrSe actually possesses "umbrella" spin ground state [see J. B. Goodenough, Magnetism and the Chemical Bond (Interscience, New York, 1963)].