Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 17, 2011, Pages

  Arras, Emmanuel ^a   Caliste, Damien ^a   Deutsch, Thierry ^a   Lançon, Frédéric ^a   Pochet, Pascal ^a  

^a UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961125736     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.174103     Document Type: Article

References (63)

1. Y. D. Park, A. T. Hanbicki, S. C. Erwin, C. S. Hellberg, J. M. Sullivan, J. E. Mattson, T. F. Ambrose, A. Wilson, G. Spanos, and B. T. Jonker, Science SCIEAS 0036-8075 10.1126/science.1066348 295, 651 (2002). (Pubitemid 34111817)
2. S. Ahlers, D. Bougeard, N. Sircar, G. Abstreiter, A. Trampert, M. Opel, and R. Gross, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.214411 74, 214411 (2006). (Pubitemid 44917703)
3. C. Bihler, C. Jaeger, T. Vallaitis, M. Gjukic, M. S. Brandt, E. Pippel, J. Woltersdorf, and U. Gösele, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2185448 88, 112506 (2006).
4. D. Bougeard, S. Ahlers, A. Trampert, N. Sircar, and G. Abstreiter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.237202 97, 237202 (2006). (Pubitemid 44888128)
5. T. Devillers, M. Jamet, A. Barski, V. Poydenot, P. Bayle-Guillemaud, E. Bellet-Amalric, S. Cherifi, and J. Cibert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.205306 76, 205306 (2007).
6. M. Jamet, A. Barski, T. Devillers, V. Poydenot, R. Dujardin, P. Bayle-Guillemaud, J. Rothman, E. Bellet-Amalric, A. Marty, J. Cibert, R. Mattana, and S. Tatarenko, Nat. Mater. 1476-1122 10.1038/nmat1686 5, 653 (2006). (Pubitemid 44157684)
7. P. D. Padova, J.-P. Ayoub, I. Berbezier, P. Perfetti, C. Quaresima, A.M. Testa, D. Fiorani, B. Olivieri, J.-M. Mariot, A. Taleb-Ibrahimi, M. C. Richter, O. Heckmann, and K. Hricovini, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.045203 77, 045203 (2008).
8. A. Continenza, G. Profeta, and S. Picozzi, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2388894 89, 202510 (2006). (Pubitemid 44772483)
9. A. Continenza, G. Profeta, and S. Picozzi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.035212 73, 035212 (2006). (Pubitemid 43270519)
10. J. Hafner and D. Hobbs, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.014408 68, 014408 (2003).
11. D. Hobbs, J. Hafner, and D. Spiák, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.014407 68, 014407 (2003).
12. X. Luo, S. B. Zhang, and S.-H. Wei, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.033308 70, 033308 (2004).
13. S. Picozzi, A. Continenza, and A. J. Freeman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.70.235205 70, 235205 (2004). (Pubitemid 40270747)
14. T. C. Schulthess and W. H. Butler, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1359456 89, 7021 (2001).
15. A. Stroppa, S. Picozzi, A. Continenza, and A. J. Freeman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.155203 68, 155203 (2003).
16. X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, P. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D. Hamann, D. Allan, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, P. Ghosez, J.-Y. Raty, and D. Allan, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.558. 65066 220, 558 (2005). (Pubitemid 40778240)
17. M. Torrent, F. Jollet, F. Bottin, G. Zerah, and X. Gonze, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.020 42, 337 (2008). (Pubitemid 351335267)
18. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
19. N. Holzwarth, A. Tackett, and G. Matthews, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(00)00244-7 135, 329 (2001). (Pubitemid 32331242)
20. C. Hartwigsen, S. Goedecker, and J. Hutter, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.3641 58, 3641 (1998).
21. M. Krack, Theor. Chim. Acta TCACFW 1432-881X 10.1007/s00214-005-0655-y 114, 145 (2005). (Pubitemid 41355884)
22. T. B. Massalski, Binary Alloy Phase Diagrams (American Society for Metals, Materials Park, OH, 1990), Vol. 2.
23. P. Villars, L. Calvert, and W. Pearson, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (American Society for Metals, Materials Park, OH, 1985).
24. A. Gokhale and R. Abbaschian, Bull. Alloy Phase Diagrams 0197-0216 10.1007/BF02898261 11, 460 (1990).
25. P. Eckerlin and H. Kandler, in Structure Data of Elements and Intermetallic Phases, edited by K. H. Hellwege and Landolt Börnstein, New Series, Group III, Vol. 6 (Springer, Berlin, 1971), p. 15.
26. P. Israiloff, H. Völlenkle, and A. Wittmann, Monatsh. Chem. CPHCBZ 0026-9247 10.1007/BF00909876 105, 1387 (1974).
27. N. Yamada, K. Maeda, Y. Usami, and T. Ohoyama, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.55.3721 55, 3721 (1986).
28. L. Castelliz, Monatsh. Chem. PRLTAO 0026-9247 10.1007/BF00902776 84, 765 (1953).
29. J. B. Forsyth and P. J. Brown, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/2/11/014 2, 2713 (1990).
30. T. Ohba, K. Ueyama, Y. Kitano, and Y. Komura, Acta Crystallogr. Sect. C ACSCEE 0108-2701 10.1107/S0108270184004947 40, 576 (1984).
31. N. Yamada, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.59.273 59, 273 (1990).
32. N. Yamada, S. Funahashi, F. Izumi, M. Ikegame, and T. Ohoyama, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.56.4107 56, 4107 (1987).
33. G. Kadar and E. Kren, Int. J. Magn. 1, 143 (1971).
34. T. Ohoyama, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.16.1995 16, 1995 (1961).
35. A. C. Lawson, A. C. Larson, M. C. Aronson, S. Johnson, Z. Fisk, P. C. Canfield, J. D. Thompson, and R. B. V. Dreele, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.358024 76, 7049 (1994).
36. M. Ellner, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/ S0021889880011594 13, 99 (1980).
37. Y. Komura, T. Ohba, K. Kifune, H. Hirayama, T. Tagai, N. Yamada, and T. Ohoyama, Acta Crystallogr. Sect. C 0108-2701 10.1107/S010827018709721X 43, 7 (1987).
38. T. Ohba, K. Kifune, and Y. Komura, Acta Crystallogr. Sect. B 0108-7681 10.1107/S0108768187097441 43, 489 (1987).
39. Y. Komura and H. Hirayama, Acta Crystallogr. Sect. A ACACBN 0567-7394 10.1107/S0567739481000466 37, C184 (1981).
40. C. B. Shoemaker, D. P. Shoemaker, T. E. Hopkins, and S. Yindepit, Acta Crystallogr. Sect. B ACBCAR 0567-7408 10.1107/S0567740878011620 34, 3573 (1978).
41. J. B. Goodenough, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.120.67 120, 67 (1960).
42. M. Hortamani, Ph.D. thesis, Faculty of Physics at the Freie Universität, Berlin, 2006.
43. H. Takizawa, T. Sato, T. Endo, and M. Shimada, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(90)90232-M 88, 384 (1990).
44. H. Takizawa, T. Sato, T. Endo, and M. Shimada, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(87)90308-2 68, 234 (1987).
45. H. Takizawa, T. Sato, T. Endo, and M. Shimada, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(88)90051-5 73, 40 (1988). (Pubitemid 18589754)
46. H. Takizawa, T. Yamashita, K. Uheda, and T. Endo, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/44/442 14, 11147 (2002). (Pubitemid 35401592)
47. E. Arras, I. Slipukhina, M. Torrent, D. Caliste, T. Deutsch, and P. Pochet, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3446837 96, 231904 (2010).
48. W. Zhu, H. H. Weitering, E. G. Wang, E. Kaxiras, and Z. Zhang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.126102 93, 126102 (2004).
49. A. Stroppa, G. Kresse, and A. Continenza, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2977469 93, 092502 (2008).
50. P. Eckerlin and H. Kandler, in Structure Data of Elements and Intermetallic Phases, edited by, K. H. Hellwege, Landolt Börnstein, New Series, Group III, Vol. 6 (Springer, Berlin, 1971), p. 6.
51. T. Ohba, N. Watanabe, and Y. Komura, Acta Crystallogr. Sect. B ASBSDK 0108-7681 10.1107/S0108768184002287 40, 351 (1984).
52. P. Eckerlin and H. Kandler, in Structure Data of Elements and Intermetallic Phases, edited by, K. H. Hellwege, and, Landolt Börnstein, New Series, Group III, Vol. 6 (Springer, Berlin, 1971), pp. 626-627.
53. P. Rhodes and E. Wohlfarth, Proc. R. Soc. London A 1364-5021 10.1098/rspa.1963.0086 273, 247 (1963).
54. I. Slipukhina, E. Arras, P. Mavropoulos, and P. Pochet, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3134482 94, 192505 (2009).
55. A. Burkhanov, V. Novogrudskiy, and I. Fakidov, Fiz. Met. Metalloved. 42, 889 (1976).
56. H. Nakamura, K. Yoshimoto, M. Shiga, M. Nishi, and K. Kakurai, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/22/022 9, 4701 (1997).
57. M. Laradji, D. P. Landau, and B. Dünweg, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.51.4894 51, 4894 (1995).
58. R. A. Alberty, Pure Appl. Chem. PACHAS 0033-4545 10.1351/pac200173081349 73, 1349 (2001).
59. H. B. Callen, Thermodynamics and an Introduction to Thermostatistics (Wiley, New York, 1985).
60. R. Balian, From Microphysics to Macrophysics (Springer, Berlin, 1991), Vol. 1, Chap. 6.3.
61. A. Stroppa, G. Kresse, and A. Continenza, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.085201 83, 085201 (2011).
62. S. Yamanaka, T. Ukai, K. Nakata, R. Takeda, M. Shoji, T. Kawakami, T. Takada, and K. Yamaguchi, Int. J. Quantum Chem. 0020-7608 10.1002/qua.21441 107, 3178 (2007). (Pubitemid 47610467)
63. C. Wolverton and V. Ozoliņs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5518 86, 5518 (2001). (Pubitemid 32548955)