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Volumn 79, Issue 5, 2009, Pages

Electronic structure and effective chemical and magnetic exchange interactions in bcc Fe-Cr alloys

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EID: 61549133916     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.054202     Document Type: Article
Times cited : (105)

References (128)
  • 4
    • 61549136665 scopus 로고
    • Sc.D. thesis, MIT
    • M. Hillert, Sc.D. thesis, MIT, 1956.
    • (1956)
    • Hillert, M.1
  • 5
    • 0001357743 scopus 로고
    • 10.1016/0001-6160(61)90155-9
    • M. Hillert, Acta Metall. 9, 525 (1961). 10.1016/0001-6160(61)90155-9
    • (1961) Acta Metall. , vol.9 , pp. 525
    • Hillert, M.1
  • 6
    • 43449102981 scopus 로고
    • 10.1016/0001-6160(61)90182-1
    • J. W. Cahn, Acta Metall. 9, 795 (1961). 10.1016/0001-6160(61)90182-1
    • (1961) Acta Metall. , vol.9 , pp. 795
    • Cahn, J.W.1
  • 9
    • 61549112155 scopus 로고    scopus 로고
    • The average composition of the steel specimen shown in Fig. 1 is 60.0% Fe, 30.9% Cr, 5.1% Ni, 2.8% Mo, 0.82% Mn, 0.34% Si, 0.007% C, and 0.059% N (weight percentage). The composition has been measured using the atom probe field ion microscopy (APFIM) technique.
    • The average composition of the steel specimen shown in Fig. 1 is 60.0% Fe, 30.9% Cr, 5.1% Ni, 2.8% Mo, 0.82% Mn, 0.34% Si, 0.007% C, and 0.059% N (weight percentage). The composition has been measured using the atom probe field ion microscopy (APFIM) technique.
  • 11
    • 4243161460 scopus 로고
    • 10.1103/PhysRevLett.52.835
    • S. Katano and M. Iizumi, Phys. Rev. Lett. 52, 835 (1984). 10.1103/PhysRevLett.52.835
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 835
    • Katano, S.1    Iizumi, M.2
  • 12
  • 14
    • 0026900048 scopus 로고
    • 10.1016/0956-7151(92)90094-U
    • F. Bley, Acta Metall. Mater. 40, 1505 (1992). 10.1016/0956-7151(92)90094- U
    • (1992) Acta Metall. Mater. , vol.40 , pp. 1505
    • Bley, F.1
  • 20
    • 0018812217 scopus 로고
    • 10.1016/0378-4363(81)91004-4
    • G. Inden, Physica B & C 103, 82 (1981). 10.1016/0378-4363(81)91004-4
    • (1981) Physica B & C , vol.103 , pp. 82
    • Inden, G.1
  • 22
    • 31844452541 scopus 로고    scopus 로고
    • 10.1038/nmat1584
    • I. Cook, Nature Mater. 5, 77 (2006). 10.1038/nmat1584
    • (2006) Nature Mater. , vol.5 , pp. 77
    • Cook, I.1
  • 33
    • 0036654456 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.66.024201;
    • A. V. Ruban and H. L. Skriver, Phys. Rev. B 66, 024201 (2002) 10.1103/PhysRevB.66.024201
    • (2002) Phys. Rev. B , vol.66 , pp. 024201
    • Ruban, A.V.1    Skriver, H.L.2
  • 35
    • 0034906979 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.64.014107;
    • L. Vitos, Phys. Rev. B 64, 014107 (2001) 10.1103/PhysRevB.64.014107
    • (2001) Phys. Rev. B , vol.64 , pp. 014107
    • Vitos, L.1
  • 37
    • 36049055284 scopus 로고
    • 10.1103/PhysRev.156.809
    • P. Soven, Phys. Rev. 156, 809 (1967). 10.1103/PhysRev.156.809
    • (1967) Phys. Rev. , vol.156 , pp. 809
    • Soven, P.1
  • 38
    • 0001431895 scopus 로고
    • 10.1103/PhysRevB.5.2382
    • B. L. Györffy, Phys. Rev. B 5, 2382 (1972). 10.1103/PhysRevB.5.2382
    • (1972) Phys. Rev. B , vol.5 , pp. 2382
    • Györffy, B.L.1
  • 39
    • 0020006561 scopus 로고
    • 10.1016/0079-6425(82)90005-6
    • J. S. Faulkner, Prog. Mater. Sci. 27, 1 (1982). 10.1016/0079-6425(82) 90005-6
    • (1982) Prog. Mater. Sci. , vol.27 , pp. 1
    • Faulkner, J.S.1
  • 41
    • 0000620927 scopus 로고
    • 10.1103/PhysRevB.44.13298;
    • Y. Wang and J. P. Perdew, Phys. Rev. B 44, 13298 (1991) 10.1103/PhysRevB.44.13298
    • (1991) Phys. Rev. B , vol.44 , pp. 13298
    • Wang, Y.1    Perdew, J.P.2
  • 43
    • 33645898818 scopus 로고
    • 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 53
  • 55
    • 0000190595 scopus 로고
    • 10.1103/PhysRev.129.1063
    • D. I. Bolef and J. de Klerk, Phys. Rev. 129, 1063 (1963). 10.1103/PhysRev.129.1063
    • (1963) Phys. Rev. , vol.129 , pp. 1063
    • Bolef, D.I.1    De Klerk, J.2
  • 56
    • 0006377812 scopus 로고
    • 10.1039/tf9635901279
    • W. A. Dench, Trans. Faraday Soc. 59, 1279 (1963). 10.1039/tf9635901279
    • (1963) Trans. Faraday Soc. , vol.59 , pp. 1279
    • Dench, W.A.1
  • 60
    • 34347360029 scopus 로고
    • 10.1088/0959-5309/49/3/307;
    • H. Jones, Proc. Phys. Soc. London 49, 250 (1937) 10.1088/0959-5309/49/3/ 307
    • (1937) Proc. Phys. Soc. London , vol.49 , pp. 250
    • Jones, H.1
  • 61
    • 0000599212 scopus 로고
    • 10.1051/jphysrad:019620023010063700
    • H. Jones, J. Phys. Radium 23, 637 (1962). 10.1051/jphysrad: 019620023010063700
    • (1962) J. Phys. Radium , vol.23 , pp. 637
    • Jones, H.1
  • 63
    • 0013522491 scopus 로고    scopus 로고
    • 4th ed., edited by R. W. Cahn and P. Haasen (North-Holland, Amsterdam
    • D. G. Pettifor, in Physical Metallurgy, 4th ed., edited by, R. W. Cahn, and, P. Haasen, (North-Holland, Amsterdam, 1996), Vol. 1, pp. 47-133.
    • (1996) Physical Metallurgy , vol.1 , pp. 47-133
    • Pettifor, D.G.1
  • 79
    • 61549117794 scopus 로고    scopus 로고
    • It should be noted here that density-functional theory (DFT)-based calculations normally predict the hole arms along the H-N-H direction to be connected (Refs.), whereas experimentally they are found to be disrupted (Refs.) near point N.
    • It should be noted here that density-functional theory (DFT)-based calculations normally predict the hole arms along the H-N-H direction to be connected (Refs.), whereas experimentally they are found to be disrupted (Refs.) near point N.
  • 80
    • 0000195384 scopus 로고
    • 10.1103/PhysRevB.16.2095
    • J. Callaway and C. S. Wang, Phys. Rev. B 16, 2095 (1977). 10.1103/PhysRevB.16.2095
    • (1977) Phys. Rev. B , vol.16 , pp. 2095
    • Callaway, J.1    Wang, C.S.2
  • 84
    • 25344472383 scopus 로고
    • 10.1103/PhysRevB.8.3439
    • D. R. Baraff, Phys. Rev. B 8, 3439 (1973). 10.1103/PhysRevB.8.3439
    • (1973) Phys. Rev. B , vol.8 , pp. 3439
    • Baraff, D.R.1
  • 86
    • 25344433250 scopus 로고
    • 10.1103/PhysRevB.32.6424
    • T. Nautiyal and S. Auluck, Phys. Rev. B 32, 6424 (1985). 10.1103/PhysRevB.32.6424
    • (1985) Phys. Rev. B , vol.32 , pp. 6424
    • Nautiyal, T.1    Auluck, S.2
  • 87
    • 61549086516 scopus 로고    scopus 로고
    • http://www.phys.ufl.edu/fermisurface/
  • 89
    • 0004391006 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.55.8801
    • A. V. Ruban and H. L. Skriver, Phys. Rev. B 55, 8801 (1997). 10.1103/PhysRevB.55.8801
    • (1997) Phys. Rev. B , vol.55 , pp. 8801
    • Ruban, A.V.1    Skriver, H.L.2
  • 97
    • 0009697874 scopus 로고
    • 10.1088/0305-4608/13/11/017
    • M. Hennion, J. Phys. F: Met. Phys. 13, 2351 (1983). 10.1088/0305-4608/13/ 11/017
    • (1983) J. Phys. F: Met. Phys. , vol.13 , pp. 2351
    • Hennion, M.1
  • 98
    • 61549128949 scopus 로고
    • edited by L. Johnson, D. P. Pope, and J. O. Stiegler MRS Symposia Proceedings No. 213 (Materials Research Society, Pittsburgh
    • P. E. A. Turchi, M. Sluiter, and G. M. Stocks, High Temperature Ordered Intermetallic Alloys IV, edited by, L. Johnson, D. P. Pope, and, J. O. Stiegler, MRS Symposia Proceedings No. 213 (Materials Research Society, Pittsburgh, 1991), p. 75.
    • (1991) High Temperature Ordered Intermetallic Alloys IV , pp. 75
    • Turchi, P.E.A.1    Sluiter, M.2    Stocks, G.M.3
  • 106
    • 33746810561 scopus 로고    scopus 로고
    • 10.1016/j.jnucmat.2006.02.024
    • G. J. Ackland, J. Nucl. Mater. 351, 20 (2006). 10.1016/j.jnucmat.2006.02. 024
    • (2006) J. Nucl. Mater. , vol.351 , pp. 20
    • Ackland, G.J.1
  • 109
    • 33751216477 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.74.174117
    • R. Drautz and D. G. Pettifor, Phys. Rev. B 74, 174117 (2006). 10.1103/PhysRevB.74.174117
    • (2006) Phys. Rev. B , vol.74 , pp. 174117
    • Drautz, R.1    Pettifor, D.G.2
  • 110
    • 38849194611 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.024428
    • A. T. Paxton and M. W. Finnis, Phys. Rev. B 77, 024428 (2008). 10.1103/PhysRevB.77.024428
    • (2008) Phys. Rev. B , vol.77 , pp. 024428
    • Paxton, A.T.1    Finnis, M.W.2
  • 111
  • 112
    • 61549113782 scopus 로고    scopus 로고
    • The same is true of Cr atoms; they gain nonzero average magnetic moments and as a result thermally induced longitudinal spin fluctuations. However, these moments are relatively small. Therefore, we hope that the relative error due to the neglect of longitudinal spin fluctuations is also small. On the other hand, at present, there is no consistent first-principles theory which can treat spin fluctuations in alloys.
    • The same is true of Cr atoms; they gain nonzero average magnetic moments and as a result thermally induced longitudinal spin fluctuations. However, these moments are relatively small. Therefore, we hope that the relative error due to the neglect of longitudinal spin fluctuations is also small. On the other hand, at present, there is no consistent first-principles theory which can treat spin fluctuations in alloys.
  • 114
    • 36149024739 scopus 로고
    • 10.1103/PhysRev.102.1490
    • R. J. Weiss and K. J. Tauer, Phys. Rev. 102, 1490 (1956). 10.1103/PhysRev.102.1490
    • (1956) Phys. Rev. , vol.102 , pp. 1490
    • Weiss, R.J.1    Tauer, K.J.2
  • 115
    • 84915342241 scopus 로고
    • 10.1209/0295-5075/5/1/015
    • V. Heine and R. Joint, Europhys. Lett. 5, 81 (1988). 10.1209/0295-5075/5/ 1/015
    • (1988) Europhys. Lett. , vol.5 , pp. 81
    • Heine, V.1    Joint, R.2
  • 116
    • 24544440153 scopus 로고
    • 10.1103/PhysRevB.39.12300
    • G. Grimvall, Phys. Rev. B 39, 12300 (1989). 10.1103/PhysRevB.39.12300
    • (1989) Phys. Rev. B , vol.39 , pp. 12300
    • Grimvall, G.1
  • 127
    • 61549113456 scopus 로고    scopus 로고
    • 070059TE
    • L. Nylöf, AB Sandvik Materials Technology Research & Development Technical Report No. 070059TE, 2007 (unpublished).
    • (2007)
    • Nylöf, L.1


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