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Volumn 86, Issue 17, 2012, Pages

Structure and diffusion in liquid complex hydrides via ab initio molecular dynamics

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84870422724     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.174203     Document Type: Article
Times cited : (8)

References (73)
  • 5
    • 0031131078 scopus 로고    scopus 로고
    • JALCEU 0925-8388 10.1016/S0925-8388(96)03049-6
    • B. Bogdanovic and M. Schwickardi, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(96)03049-6 253-254, 1 (1997).
    • (1997) J. Alloys Compd. , vol.253-254 , pp. 1
    • Bogdanovic, B.1    Schwickardi, M.2
  • 6
    • 84856131878 scopus 로고    scopus 로고
    • 1098-0121 10.1103/PhysRevB.71.024118
    • E. Majzoub, K. McCarty, and V. Ozoliņ, Phys. Rev. B 1098-0121 10.1103/PhysRevB.71.024118 71, 024118 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 024118
    • Majzoub, E.1    McCarty, K.2    Ozoliņ, V.3
  • 14
    • 33846301652 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.014101
    • D. J. Siegel, C. Wolverton, and V. Ozoliņ, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.014101 75, 014101 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 014101
    • Siegel, D.J.1    Wolverton, C.2    Ozoliņ, V.3
  • 19
    • 38749106174 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.100.040602
    • N. A. Zarkevich and D. D. Johnson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.040602 100, 040602 (2008).
    • (2008) Phys. Rev. Lett. , vol.100 , pp. 040602
    • Zarkevich, N.A.1    Johnson, D.D.2
  • 21
    • 77954728558 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.224201
    • D. E. Farrell, D. Shin, and C. Wolverton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.224201 80, 224201 (2009).
    • (2009) Phys. Rev. B , vol.80 , pp. 224201
    • Farrell, D.E.1    Shin, D.2    Wolverton, C.3
  • 23
    • 33947445102 scopus 로고
    • JACSAT 0002-7863 10.1021/ja01869a039
    • H. Schlesinger and H. Brown, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01869a039 62, 3429 (1940).
    • (1940) J. Am. Chem. Soc. , vol.62 , pp. 3429
    • Schlesinger, H.1    Brown, H.2
  • 25
    • 12844286241 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.47.558 47, 558 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 26
    • 27744460065 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.14251 49, 14251 (1994).
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 27
    • 0030190741 scopus 로고    scopus 로고
    • CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
    • G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmüller, J.2
  • 28
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 30
    • 33645898818 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 31
    • 25744460922 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 35
    • 42749104067 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.144109
    • C. Wolverton, V. Ozoliņ, and M. Asta, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.144109 69, 144109 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 144109
    • Wolverton, C.1    Ozoliņ, V.2    Asta, M.3
  • 39
    • 41549168663 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.100.135501
    • V. Ozoliņ, E. H. Majzoub, and C. Wolverton, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.135501 100, 135501 (2008).
    • (2008) Phys. Rev. Lett. , vol.100 , pp. 135501
    • Ozoliņ, V.1    Majzoub, E.H.2    Wolverton, C.3
  • 41
    • 16244422298 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.93.145501
    • Z. Odziana and T. Vegge, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 93.145501 93, 145501 (2004).
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 145501
    • Odziana, Z.1    Vegge, T.2
  • 42
    • 33744924864 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.73.220101
    • B. Magyari-Köpe, V. Ozoliņ, and C. Wolverton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.220101 73, 220101 (R) (2006).
    • (2006) Phys. Rev. B , vol.73 , pp. 220101
    • Magyari-Köpe, B.1    Ozoliņ, V.2    Wolverton, C.3
  • 43
    • 33749438101 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.74.134104
    • T. Mueller and G. Ceder, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.134104 74, 134104 (2006).
    • (2006) Phys. Rev. B , vol.74 , pp. 134104
    • Mueller, T.1    Ceder, G.2
  • 44
    • 33846655398 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.064101
    • C. Wolverton and V. Ozoliņ, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.064101 75, 064101 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 064101
    • Wolverton, C.1    Ozoliņ, V.2
  • 45
    • 55249089239 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.3003067
    • Z. Ma and M. Chou, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3003067 104, 083519 (2008).
    • (2008) J. Appl. Phys. , vol.104 , pp. 083519
    • Ma, Z.1    Chou, M.2
  • 47
    • 79961061794 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.83.144111
    • D. S. Aidhy and C. Wolverton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.144111 83, 144111 (2011).
    • (2011) Phys. Rev. B , vol.83 , pp. 144111
    • Aidhy, D.S.1    Wolverton, C.2
  • 50
    • 64349113196 scopus 로고    scopus 로고
    • APPLAB 0003-6951 10.1063/1.3115032
    • M. Ramzan and R. Ahuja, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3115032 94, 141903 (2009).
    • (2009) Appl. Phys. Lett. , vol.94 , pp. 141903
    • Ramzan, M.1    Ahuja, R.2
  • 51
    • 34547809547 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.447334
    • S. Nose, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447334 81, 511 (1984).
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Nose, S.1
  • 52
    • 0003036862 scopus 로고
    • PTPSAL 0375-9687 10.1143/PTPS.103.1
    • S. Nose, Prog. Theor. Phys. Suppl. PTPSAL 0375-9687 10.1143/PTPS.103.1 103, 1 (1991).
    • (1991) Prog. Theor. Phys. Suppl. , vol.103 , pp. 1
    • Nose, S.1
  • 53
    • 4243861808 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.46.13756
    • D. M. Bylander and L. Kleinman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.13756 46, 13756 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 13756
    • Bylander, D.M.1    Kleinman, L.2
  • 55
    • 67649267997 scopus 로고    scopus 로고
    • 1932-7447 10.1021/jp810208k
    • F. Pinkerton and M. Meyer, J. Phys. Chem. C 1932-7447 10.1021/jp810208k 113, 11172 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , pp. 11172
    • Pinkerton, F.1    Meyer, M.2
  • 58
    • 84856131878 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.71.024118
    • E. H. Majzoub, K. F. McCarty, and V. Ozolins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.024118 71, 024118 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 024118
    • Majzoub, E.H.1    McCarty, K.F.2    Ozolins, V.3
  • 59
    • 5044236231 scopus 로고    scopus 로고
    • JALCEU 0925-8388 10.1016/j.jallcom.2004.03.119
    • W. Luo, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2004.03.119 381, 284 (2004).
    • (2004) J. Alloys Compd. , vol.381 , pp. 284
    • Luo, W.1
  • 65
    • 0012291085 scopus 로고
    • CTPHAF 0010-7514 10.1080/00107518608211029
    • W. Hayes, Contemp. Phys. CTPHAF 0010-7514 10.1080/00107518608211029 27, 519 (1986).
    • (1986) Contemp. Phys. , vol.27 , pp. 519
    • Hayes, W.1
  • 68
    • 0035812104 scopus 로고    scopus 로고
    • JPCBFK 1520-6106 10.1021/jp011200f
    • R. Winter and P. Heitjans, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp011200f 105, 6108 (2001).
    • (2001) J. Phys. Chem. B , vol.105 , pp. 6108
    • Winter, R.1    Heitjans, P.2
  • 69
    • 0030233452 scopus 로고    scopus 로고
    • SSIOD3 0167-2738 10.1016/S0167-2738(96)00399-2
    • R. Tärneberg and A. Lundèn, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(96)00399-2 90, 209 (1996).
    • (1996) Solid State Ionics , vol.90 , pp. 209
    • Tärneberg, R.1    Lundèn, A.2
  • 70
    • 0343725235 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.16.1410
    • M. J. Delaney and S. Ushioda, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.16.1410 16, 1410 (1977).
    • (1977) Phys. Rev. B , vol.16 , pp. 1410
    • Delaney, M.J.1    Ushioda, S.2


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