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Volumn 73, Issue 9, 2006, Pages

Ab initio studies of phonon softening and high-pressure phase transitions of α -quartz Si O2

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EID: 33645114660     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.094304     Document Type: Article
Times cited : (66)

References (85)
  • 3
    • 33744635485 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.72.1301
    • (c) L. E. McNeil and M. Grimsditch, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1301 72, 1301 (1994).
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 1301
    • McNeil, L.E.1    Grimsditch, M.2
  • 4
    • 0026868299 scopus 로고
    • MSREEL 0920-2307 10.1016/0920-2307(92)90007-N
    • E. G. Ponyatovsky and O. I. Barkalov, Mater. Sci. Rep. MSREEL 0920-2307 10.1016/0920-2307(92)90007-N 8, 147 (1992).
    • (1992) Mater. Sci. Rep. , vol.8 , pp. 147
    • Ponyatovsky, E.G.1    Barkalov, O.I.2
  • 6
    • 0037458443 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.90.079701
    • (b) M. H. Muser and P. Schoffel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.079701 90, 079701 (2003);
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 079701
    • Muser, M.H.1    Schoffel, P.2
  • 10
    • 0003144284 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.68.83
    • (a) L. E. McNeil and M. Grimsditch, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.83 68, 83 (1991);
    • (1991) Phys. Rev. Lett. , vol.68 , pp. 83
    • McNeil, L.E.1    Grimsditch, M.2
  • 12
    • 0000673801 scopus 로고
    • NATUAS 0028-0836 10.1038/358222a0
    • (c) N. Keskar and J. R. Chelikowsky, Nature (London) NATUAS 0028-0836 10.1038/358222a0 358, 222 (1992).
    • (1992) Nature (London) , vol.358 , pp. 222
    • Keskar, N.1    Chelikowsky, J.R.2
  • 14
    • 34548384530 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.5710
    • S. L. Chaplot and S. K. Sikka, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.5710 47, 5710 (1993).
    • (1993) Phys. Rev. B , vol.47 , pp. 5710
    • Chaplot, S.L.1    Sikka, S.K.2
  • 15
    • 0000952393 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.71.2674
    • S. L. Chaplot and S. K. Sikka, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71.2674 71, 2674 (1993).
    • (1993) Phys. Rev. Lett. , vol.71 , pp. 2674
    • Chaplot, S.L.1    Sikka, S.K.2
  • 16
    • 0001327343 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.83.3749
    • S. L. Chaplot, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83. 3749 83, 3749 (1999).
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 3749
    • Chaplot, S.L.1
  • 17
    • 0001691870 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.67.3559
    • J. S. Tse and D. D. Klug, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.3559 67, 3559 (1991);
    • (1991) Phys. Rev. Lett. , vol.67 , pp. 3559
    • Tse, J.S.1    Klug, D.D.2
  • 18
    • 0000653469 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.70.174
    • J. S. Tse and D. D. Klug, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.174 70, 174 (1993);
    • (1993) Phys. Rev. Lett. , vol.70 , pp. 174
    • Tse, J.S.1    Klug, D.D.2
  • 21
    • 0001286863 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.76.772
    • J. Badro, J.-L. Barrat, and P. Gillet, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.772 76, 772 (1996);
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 772
    • Badro, J.1    Barrat, J.-L.2    Gillet, P.3
  • 22
    • 0032525672 scopus 로고    scopus 로고
    • EULEEJ 0295-5075 10.1209/epl/i1998-00299-3
    • J. Badro, P. Gillet, and J.-L. Barrat, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i1998-00299-3 42, 643 (1998).
    • (1998) Europhys. Lett. , vol.42 , pp. 643
    • Badro, J.1    Gillet, P.2    Barrat, J.-L.3
  • 24
    • 3343026653 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.69.2220
    • N. Binggeli and J. R. Chelikowsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.2220 69, 2220 (1992);
    • (1992) Phys. Rev. Lett. , vol.69 , pp. 2220
    • Binggeli, N.1    Chelikowsky, J.R.2
  • 27
    • 0032306439 scopus 로고    scopus 로고
    • edited by R. M. Wentzcovitch, R. J. Hemley, W. J. Nellis, and P. Y. Yu, Materials Research Society Proc.
    • S. Baroni and P. Gianozzi, in High Pressure Materials Research, edited by, R. M. Wentzcovitch,,, R. J. Hemley,,, W. J. Nellis,, and, P. Y. Yu,, Materials Research Society Proc. 499, Pittsburgh, 1998, p. 233.
    • (1998) High Pressure Materials Research , vol.499 , pp. 233
    • Baroni, S.1    Gianozzi, P.2
  • 28
    • 0000356812 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.479475
    • B. Holm and R. Ahuja, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479475 111, 2071 (1999).
    • (1999) J. Chem. Phys. , vol.111 , pp. 2071
    • Holm, B.1    Ahuja, R.2
  • 30
    • 0001413985 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.2413
    • M. B. Smirnov and A. P. Mirgorodsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.2413 78, 2413 (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 2413
    • Smirnov, M.B.1    Mirgorodsky, A.P.2
  • 31
    • 0001677027 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.68.3603
    • (a) X. Gonze, D. C. Allan, and M. P. Teter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.3603 68, 3603 (1992);
    • (1992) Phys. Rev. Lett. , vol.68 , pp. 3603
    • Gonze, X.1    Allan, D.C.2    Teter, M.P.3
  • 33
    • 23544464216 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.51.8610
    • (c) C. Lee and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.8610 51, 8610 (1995).
    • (1995) Phys. Rev. B , vol.51 , pp. 8610
    • Lee, C.1    Gonze, X.2
  • 34
    • 12044256715 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.72.1686
    • C. Lee and X. Gonze, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1686 72, 1686 (1994);
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 1686
    • Lee, C.1    Gonze, X.2
  • 35
    • 0141805116 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.56.7321
    • C. Lee and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56. 7321 56, 7321 (1997).
    • (1997) Phys. Rev. B , vol.56 , pp. 7321
    • Lee, C.1    Gonze, X.2
  • 42
    • 4243169613 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.62.179
    • F. Mogeon, G. Dolino, and M. Vallade, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.179 62, 179 (1989).
    • (1989) Phys. Rev. Lett. , vol.62 , pp. 179
    • Mogeon, F.1    Dolino, G.2    Vallade, M.3
  • 48
    • 0000760838 scopus 로고
    • High Pressure Research in Mineral Physics, (edited by M. H. Manghnani and Y. Syono, Terra Scientific Publishing Company (TERRAPUB)/American Geophysical Union, Tokyo/Washington, D.C.
    • R. J. Hemley, in High Pressure Research in Mineral Physics, (edited by, M. H. Manghnani, and, Y. Syono,, Terra Scientific Publishing Company (TERRAPUB)/American Geophysical Union, Tokyo/Washington, D.C., 1987), p. 347.
    • (1987) , pp. 347
    • Hemley, R.J.1
  • 49
    • 0345569823 scopus 로고
    • edited by P. J. Heaney, C. T. Prewitt, and G. V. Gibbs, Mineralogical Society of America, Washingon DC
    • For a review, see R. J. Hemley, C. T. Prewitt, and K. J. Kingma, in Silica: Physical Behavior, Geochemistry and Materials Applications, Reviews in Mineralogy, edited by, P. J. Heaney,,, C. T. Prewitt,, and, G. V. Gibbs,, Mineralogical Society of America, Washingon DC, 1994, Vol. 29, p. 41;
    • (1994) Silica: Physical Behavior, Geochemistry and Materials Applications , vol.29 , pp. 41
    • Hemley, R.J.1    Prewitt, C.T.2    Kingma, K.J.3
  • 50
    • 0000929220 scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/5/34/003
    • D. Strauch and B. Dorner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/5/34/003 5, 6149 (1993);
    • (1993) J. Phys.: Condens. Matter , vol.5 , pp. 6149
    • Strauch, D.1    Dorner, B.2
  • 56
    • 0000111746 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.58.1861
    • S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.58.1861 58, 1861 (1987);
    • (1987) Phys. Rev. Lett. , vol.58 , pp. 1861
    • Baroni, S.1    Giannozzi, P.2    Testa, A.3
  • 59
    • 0000914934 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.54.4383
    • X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.4383 54, 4383 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 4383
    • Gonze, X.1
  • 60
    • 0001084315 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.54.10
    • X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.10 55, 10 337 (1997).
    • (1997) Phys. Rev. B , vol.55 , pp. 10337
    • Gonze, X.1
  • 61
    • 0001096933 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.55.10355
    • X. Gonze and C. Lee, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55. 10355 55, 10355 (1997).
    • (1997) Phys. Rev. B , vol.55 , pp. 10355
    • Gonze, X.1    Lee, C.2
  • 62
  • 63
    • 33749159370 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.72.035105
    • X. Wu, D. Vanderbilt, and D. R. Hamann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.035105 72, 035105 (2005).
    • (2005) Phys. Rev. B , vol.72 , pp. 035105
    • Wu, X.1    Vanderbilt, D.2    Hamann, D.R.3
  • 64
    • 84856129563 scopus 로고    scopus 로고
    • The ABINIT code is a collaborative project of the Universite Catholique de Louvain, Corning Inc. and other collaborators (URL: http://www.abinit.org/);
  • 66
    • 26144450583 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
    • J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 67
    • 33744691386 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
    • D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 72
    • 0342885371 scopus 로고
    • PPSOAU 0370-1328 10.1088/0370-1328/85/3/313
    • T. Barron and M. L. Klein, Proc. Phys. Soc. London PPSOAU 0370-1328 10.1088/0370-1328/85/3/313 85, 523 (1965).
    • (1965) Proc. Phys. Soc. London , vol.85 , pp. 523
    • Barron, T.1    Klein, M.L.2
  • 73
    • 0041022901 scopus 로고
    • RMPHAT 0034-6861 10.1103/RevModPhys.37.57
    • D. C. Wallace, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.37.57 37, 57 (1965);
    • (1965) Rev. Mod. Phys. , vol.37 , pp. 57
    • Wallace, D.C.1
  • 75
    • 0037561497 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.67.174108
    • G. J. Ackland and S. K. Reed, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.174108 67, 174108 (2003).
    • (2003) Phys. Rev. B , vol.67 , pp. 174108
    • Ackland, G.J.1    Reed, S.K.2
  • 78
    • 0001564460 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.76.660
    • D. R. Hamann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76. 660 76, 660 (1996).
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 660
    • Hamann, D.R.1
  • 79
    • 33645128953 scopus 로고    scopus 로고
    • cond-mat/0508004
    • Z. Wu and R. E. Cohen, cond-mat/0508004, 2005 (unpublished).
    • (2005)
    • Wu, Z.1    Cohen, R.E.2
  • 81
    • 0042709818 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat879
    • R. M. Hazen and D. S. Sholl, Nat. Mater. NMAACR 1476-1122 10.1038/nmat879 2, 367 (2003).
    • (2003) Nat. Mater. , vol.2 , pp. 367
    • Hazen, R.M.1    Sholl, D.S.2
  • 82
    • 2542469652 scopus 로고    scopus 로고
    • JMCCF2 1381-1169 10.1016/j.molcata.2004.03.026
    • R. T. Downs and R. M. Hazen, J. Mol. Catal. A: Chem. JMCCF2 1381-1169 10.1016/j.molcata.2004.03.026 216, 273 (2004).
    • (2004) J. Mol. Catal. A: Chem. , vol.216 , pp. 273
    • Downs, R.T.1    Hazen, R.M.2
  • 83
    • 84856125304 scopus 로고    scopus 로고
    • PRBMDO. 0163-1829. 10.1103/PhysRevB.71.024210
    • P. Tolédano and D. Machon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.024210 71, 024210 (2005).
    • (2005) Phys. Rev. B , vol.71 , pp. 024210
    • Tolédano, P.1    MacHon, D.2
  • 84


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