메뉴 건너뛰기




Volumn 83, Issue 13, 2011, Pages

Ab initio molecular dynamics study of the metallization of liquid selenium under pressure

Author keywords

[No Author keywords available]

Indexed keywords


EID: 79961096041     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.134206     Document Type: Article
Times cited : (9)

References (41)
  • 4
    • 0007818238 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1696895
    • J. C. Jamieson and D. B. McWhan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1696895 43, 1149 (1965).
    • (1965) J. Chem. Phys. , vol.43 , pp. 1149
    • Jamieson, J.C.1    McWhan, D.B.2
  • 6
    • 0008471027 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.58.171
    • P. Vulliet and J. P. Sanchez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.58.171 58, 171 (1998).
    • (1998) Phys. Rev. B , vol.58 , pp. 171
    • Vulliet, P.1    Sanchez, J.P.2
  • 7
    • 0001157305 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.37.8499
    • G. Parthasarathy and W. B. Holzapfel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.37.8499 37, 8499 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 8499
    • Parthasarathy, G.1    Holzapfel, W.B.2
  • 9
    • 21844526282 scopus 로고
    • JUPSAU 0031-9015 10.1143/JPSJ.64.485
    • T. Tsuzuki, M. Yao, and H. Endo, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.64.485 64, 485 (1995).
    • (1995) J. Phys. Soc. Jpn. , vol.64 , pp. 485
    • Tsuzuki, T.1    Yao, M.2    Endo, H.3
  • 10
    • 0020192110 scopus 로고
    • JUPSAU 1364-2812 10.1080/13642818208246443
    • J. C. Perron, J. Rabit, and J. F. Rialland, Philos. Mag. B JUPSAU 1364-2812 10.1080/13642818208246443 46, 321 (1982).
    • (1982) Philos. Mag. B , vol.46 , pp. 321
    • Perron, J.C.1    Rabit, J.2    Rialland, J.F.3
  • 12
    • 23544440647 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.22.2257
    • W. W. Warren Jr. and R. Dupree, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.22.2257 22, 2257 (1980).
    • (1980) Phys. Rev. B , vol.22 , pp. 2257
    • Warren, Jr.W.W.1    Dupree, R.2
  • 14
    • 0035926887 scopus 로고    scopus 로고
    • Structural changes and the metal-non-metal transition in supercritical fluids
    • DOI 10.1088/0953-8984/13/20/202, PII S0953898401885398
    • K. Tamura and M. Inui, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/20/202 13, R337 (2001). (Pubitemid 32517240)
    • (2001) Journal of Physics Condensed Matter , vol.13 , Issue.20
    • Tamura, K.1    Inui, M.2
  • 16
    • 0000090596 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.57.10482
    • F. Kirchhoff, G. Kresse, and M. J. Gillan, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.10482 57, 10482 (1998).
    • (1998) Phys. Rev. B , vol.57 , pp. 10482
    • Kirchhoff, F.1    Kresse, G.2    Gillan, M.J.3
  • 17
  • 18
    • 0141509986 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/15/36/301
    • V. V. Brazhkin and A. G. Lyapin, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/36/301 15, 6059 (2003).
    • (2003) J. Phys. Condens. Matter , vol.15 , pp. 6059
    • Brazhkin, V.V.1    Lyapin, A.G.2
  • 21
    • 0025386076 scopus 로고
    • Structure of liquid metals under high pressure
    • DOI 10.1016/0022-3093(90)90872-J
    • K. Tsuji, J. Non-Cryst. Solids JNCSBJ 0022-3093 10.1016/0022-3093(90) 90872-J 117 - 118, 27 (1990). (Pubitemid 20676112)
    • (1990) Journal of Non-Crystalline Solids , vol.117-118 , Issue.PART 1 , pp. 27-34
    • Tsuji Kazuhiko1
  • 23
    • 0036143522 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.65.014105
    • N. Funamori and K. Tsuji, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.014105 65, 014105 (2001).
    • (2001) Phys. Rev. B , vol.65 , pp. 014105
    • Funamori, N.1    Tsuji, K.2
  • 25
    • 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
  • 26
    • 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
  • 27
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 28
    • 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
  • 29
    • 0035501075 scopus 로고    scopus 로고
    • Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms
    • DOI 10.1016/S0010-4655(01)00247-8, PII S0010465501002478
    • F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(01)00247-8 140, 303 (2001). (Pubitemid 32998127)
    • (2001) Computer Physics Communications , vol.140 , Issue.3 , pp. 303-314
    • Shimojo, F.1    Kalia, R.K.2    Nakano, A.3    Vashishta, P.4
  • 32
    • 84943502952 scopus 로고
    • MOPHAM 0026-8976 10.1080/00268978400101201
    • S. Nosé, Mol. Phys. MOPHAM 0026-8976 10.1080/00268978400101201 52, 255 (1984).
    • (1984) Mol. Phys. , vol.52 , pp. 255
    • Nosé, S.1
  • 33
    • 0001538909 scopus 로고
    • PLRAAN 1050-2947 10.1103/PhysRevA.31.1695
    • W. G. Hoover, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.31.1695 31, 1695 (1985).
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 34
    • 24844452621 scopus 로고
    • JCPSA6 1098-0121 10.1103/PhysRevB.32.3780
    • O. H. Nielsen and R. M. Martin, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.32.3780 32, 3780 (1985).
    • (1985) Phys. Rev. B , vol.32 , pp. 3780
    • Nielsen, O.H.1    Martin, R.M.2
  • 35
    • 0542382169 scopus 로고
    • JCPSA6 1098-0121 10.1103/PhysRevB.50.4327
    • A. Dal Corso and R. Resta, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.50.4327 50, 4327 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 4327
    • Dal Corso, A.1    Resta, R.2
  • 36
    • 36849130718 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1740589
    • R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740589 23, 1841 (1955).
    • (1955) J. Chem. Phys. , vol.23 , pp. 1841
    • Mulliken, R.S.1
  • 38
    • 79961042807 scopus 로고    scopus 로고
    • 0≤0.52.
    • 0 ≤ 0. 52.
  • 39
    • 34848838311 scopus 로고    scopus 로고
    • JCPSA6 1098-0121 10.1103/PhysRevB.76.104205
    • B. B. Karki, D. Bhattarai, and L. Stixrude, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.76.104205 76, 104205 (2007).
    • (2007) Phys. Rev. B , vol.76 , pp. 104205
    • Karki, B.B.1    Bhattarai, D.2    Stixrude, L.3
  • 40
    • 69549138288 scopus 로고    scopus 로고
    • JCPSA6 1098-0121 10.1103/PhysRevB.80.020202
    • S. Ohmura and F. Shimojo, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.80.020202 80, 020202 (2009).
    • (2009) Phys. Rev. B , vol.80 , pp. 020202
    • Ohmura, S.1    Shimojo, F.2
  • 41
    • 36849136781 scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1725971
    • D. E. Harrison, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1725971 41, 844 (1964).
    • (1964) J. Chem. Phys. , vol.41 , pp. 844
    • Harrison, D.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.