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Volumn 106, Issue 24, 2011, Pages

Magnetic bond-order potential for iron

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ENSEMBLE; ATOMISTIC MODELING; BOND-ORDER POTENTIAL; COMPLEX DEFECTS; EMPIRICAL POTENTIALS; ITINERANT MAGNETISM; MAGNETIC INTERACTIONS; STONER MODEL; TIGHT-BINDING APPROXIMATIONS;

EID: 79960630384     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.106.246402     Document Type: Article
Times cited : (112)

References (28)
  • 4
    • 27144468060 scopus 로고    scopus 로고
    • A 'magnetic' interatomic potential for molecular dynamics simulations
    • DOI 10.1088/0953-8984/17/44/003, PII S0953898405031449
    • S. Dudarev and P. Derlet, J. Phys. Condens. Matter JCOMEL 0953-8984 17, 7097 (2005). 10.1088/0953-8984/17/44/003 (Pubitemid 41509084)
    • (2005) Journal of Physics Condensed Matter , vol.17 , Issue.44 , pp. 7097-7118
    • Dudarev, S.L.1    Derlet, P.M.2
  • 5
    • 0001971452 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.727
    • G. Simonelli, R. Pasianot, and E. Savino, Phys. Rev. B PRBMDO 0163-1829 50, 727 (1994). 10.1103/PhysRevB.50.727
    • (1994) Phys. Rev. B , vol.50 , pp. 727
    • Simonelli, G.1    Pasianot, R.2    Savino, E.3
  • 6
    • 34547323493 scopus 로고    scopus 로고
    • Analytic bond-order potential for bcc and fcc iron - Comparison with established embedded-atom method potentials
    • DOI 10.1088/0953-8984/19/32/326220, PII S0953898407498320
    • M. Müller, P. Erhart, and K. Albe, J. Phys. Condens. Matter JCOMEL 0953-8984 19, 326220 (2007). 10.1088/0953-8984/19/32/326220 (Pubitemid 47154907)
    • (2007) Journal of Physics Condensed Matter , vol.19 , Issue.32 , pp. 326220
    • Muller, M.1    Erhart, P.2    Albe, K.3
  • 7
    • 4244010751 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.50.130
    • H. Hasegawa and D.G. Pettifor, Phys. Rev. Lett. 50, 130 (1983). PRLTAO 0031-9007 10.1103/PhysRevLett.50.130
    • (1983) Phys. Rev. Lett. , vol.50 , pp. 130
    • Hasegawa, H.1    Pettifor, D.G.2
  • 9
    • 0001325662 scopus 로고
    • PRLAAZ 0080-4630 10.1098/rspa.1939.0003
    • E.C. Stoner, Proc. R. Soc. London A PRLAAZ 0080-4630 169, 339 (1939). 10.1098/rspa.1939.0003
    • (1939) Proc. R. Soc. London A , vol.169 , pp. 339
    • Stoner, E.C.1
  • 10
    • 24544453368 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.63.2480
    • D.G. Pettifor, Phys. Rev. Lett. 63, 2480 (1989). PRLTAO 0031-9007 10.1103/PhysRevLett.63.2480
    • (1989) Phys. Rev. Lett. , vol.63 , pp. 2480
    • Pettifor, D.G.1
  • 15
    • 23644432823 scopus 로고    scopus 로고
    • Origin of brittle cleavage in iridium
    • DOI 10.1126/science.1114704
    • M.J. Cawkwell, D. Nguyen-Manh, C. Woodward, D.G. Pettifor, and V. Vitek, Science 309, 1059 (2005). SCIEAS 0036-8075 10.1126/science.1114704 (Pubitemid 41134460)
    • (2005) Science , vol.309 , Issue.5737 , pp. 1059-1062
    • Cawkwell, M.J.1    Nguyen-Manh, D.2    Woodward, C.3    Pettifor, D.G.4    Vitek, V.5
  • 16
    • 79960640053 scopus 로고    scopus 로고
    • supplemental material at
    • See supplemental material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.106.246402 for details of the BOP model.
  • 17
    • 0005278324 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.95
    • W. Zhong, G. Overney, and D. Tomanek, Phys. Rev. B PRBMDO 0163-1829 47, 95 (1993). 10.1103/PhysRevB.47.95
    • (1993) Phys. Rev. B , vol.47 , pp. 95
    • Zhong, W.1    Overney, G.2    Tomanek, D.3
  • 19
    • 38849194611 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.77.024428
    • A.T. Paxton and M.W. Finnis, Phys. Rev. B PRBMDO 1098-0121 77, 024428 (2008). 10.1103/PhysRevB.77.024428
    • (2008) Phys. Rev. B , vol.77 , pp. 024428
    • Paxton, A.T.1    Finnis, M.W.2
  • 20
    • 78650873801 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.235125
    • A.T. Paxton and C. Elsässer, Phys. Rev. B PRBMDO 1098-0121 82, 235125 (2010). 10.1103/PhysRevB.82.235125
    • (2010) Phys. Rev. B , vol.82 , pp. 235125
    • Paxton, A.T.1    Elsässer, C.2
  • 21
    • 79960005718 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.184119
    • G. Madsen, E. McEniry, and R. Drautz, Phys. Rev. B PRBMDO 1098-0121 83, 184119 (2011). 10.1103/PhysRevB.83.184119
    • (2011) Phys. Rev. B , vol.83 , pp. 184119
    • Madsen, G.1    McEniry, E.2    Drautz, R.3
  • 22
    • 70349918336 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.104440
    • D. Nguyen-Manh and S.L. Dudarev, Phys. Rev. B PRBMDO 1098-0121 80, 104440 (2009). 10.1103/PhysRevB.80.104440
    • (2009) Phys. Rev. B , vol.80 , pp. 104440
    • Nguyen-Manh, D.1    Dudarev, S.L.2
  • 24
    • 33745829099 scopus 로고    scopus 로고
    • The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations
    • DOI 10.1016/j.actamat.2006.03.044, PII S1359645406002503
    • J. Chaussidon, M. Fivel, and D. Rodney, Acta Mater. 54, 3407 (2006). ACMAFD 1359-6454 10.1016/j.actamat.2006.03.044 (Pubitemid 44038467)
    • (2006) Acta Materialia , vol.54 , Issue.13 , pp. 3407-3416
    • Chaussidon, J.1    Fivel, M.2    Rodney, D.3
  • 25
    • 77950075394 scopus 로고    scopus 로고
    • ACMAFD 1359-6454 10.1016/j.actamat.2010.02.023
    • D. Caillard, Acta Mater. 58, 3493 (2010). ACMAFD 1359-6454 10.1016/j.actamat.2010.02.023
    • (2010) Acta Mater. , vol.58 , pp. 3493
    • Caillard, D.1
  • 26
    • 1242329035 scopus 로고    scopus 로고
    • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
    • DOI 10.1063/1.1323224
    • G. Henkelman and H. Jónsson, J. Chem. Phys. JCPSA6 0021-9606 113, 9978 (2000). 10.1063/1.1323224 (Pubitemid 32076892)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9978-9985
    • Henkelman, G.1    Jonsson, H.2
  • 27
    • 52949137828 scopus 로고    scopus 로고
    • CMMSEM 0927-0256 10.1016/j.commatsci.2008.01.072
    • D. Terentyev and L. Malerba, Comput. Mater. Sci. 43, 855 (2008). CMMSEM 0927-0256 10.1016/j.commatsci.2008.01.072
    • (2008) Comput. Mater. Sci. , vol.43 , pp. 855
    • Terentyev, D.1    Malerba, L.2
  • 28


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