메뉴 건너뛰기




Volumn 20, Issue 5, 2008, Pages 745-755

Computational study of the effect of pressure on the Ti-in-zircon geothermometer

Author keywords

CASTEP; Geothermometer; Solid solution; Substitution; Ti in zircon; TiSiO4; VASP; Zircon; ZrTiO4

Indexed keywords

FREE ENERGY; GERMANIUM COMPOUNDS; MIXING; OXIDE MINERALS; QUANTUM THEORY; SILICA; SILICATE MINERALS; SILICON; SOLID SOLUTIONS; SUBSTITUTION REACTIONS; SULFUR COMPOUNDS; TITANIUM DIOXIDE; VANADIUM COMPOUNDS; ZIRCON; ZIRCONIA; ZIRCONIUM;

EID: 56849132393     PISSN: 09351221     EISSN: None     Source Type: Journal    
DOI: 10.1127/0935-1221/2008/0020-1860     Document Type: Article
Times cited : (110)

References (29)
  • 1
    • 34147104484 scopus 로고    scopus 로고
    • First application of titanium-in-zircon thermometry to ultrahigh-temperature metamorphism
    • Baldwin, J.A., Brown, M., Schmitz, M.D. (2007): First application of titanium-in-zircon thermometry to ultrahigh-temperature metamorphism. Geology, 35, 295-298.
    • (2007) Geology , vol.35 , pp. 295-298
    • Baldwin, J.A.1    Brown, M.2    Schmitz, M.D.3
  • 2
    • 18144442475 scopus 로고    scopus 로고
    • Direct calculation of thermodynamic properties of the barite/ celestite solid solution from molecular principles
    • Becker, U., Fernandez-Gonzalez, A., Prieto, M., Harrison, R., Putnis, A. (2000): Direct calculation of thermodynamic properties of the barite/ celestite solid solution from molecular principles. Phys. Chem. Minerals, 27, 291-300.
    • (2000) Phys. Chem. Minerals , vol.27 , pp. 291-300
    • Becker, U.1    Fernandez-Gonzalez, A.2    Prieto, M.3    Harrison, R.4    Putnis, A.5
  • 3
    • 0035301097 scopus 로고    scopus 로고
    • Computational methods for the study of energies of cation distributions: Applications to cation-ordering phase transitions and solid solutions
    • Bosenick, A., Dove, M.T., Myers, E.R., Palin, E.J., Sainz-Diaz, C.I., Guiton, B.S., Warren, M.C., Craig, M.S., Redfern, S.A.T. (2001): Computational methods for the study of energies of cation distributions: applications to cation-ordering phase transitions and solid solutions. Mineral. Mag., 65, 193-219.
    • (2001) Mineral. Mag , vol.65 , pp. 193-219
    • Bosenick, A.1    Dove, M.T.2    Myers, E.R.3    Palin, E.J.4    Sainz-Diaz, C.I.5    Guiton, B.S.6    Warren, M.C.7    Craig, M.S.8    Redfern, S.A.T.9
  • 4
    • 33845759616 scopus 로고    scopus 로고
    • First principles phase diagram calculations for the wurtzite-structure systems AIN-GaN, GaN-InN, and AIN-InN
    • 113528
    • Burton, B.P., van de Walle, A., Kattner, U. (2006): First principles phase diagram calculations for the wurtzite-structure systems AIN-GaN, GaN-InN, and AIN-InN. J. Appl. Phys., 100, #113528.
    • (2006) J. Appl. Phys , vol.100
    • Burton, B.P.1    van de Walle, A.2    Kattner, U.3
  • 5
    • 34447619985 scopus 로고    scopus 로고
    • New thermodynamic models and revised calibrations for the Ti-in-zircon and Zr-in-rutile thermometers
    • Ferry, J.M. & Watson, E.B. (2007): New thermodynamic models and revised calibrations for the Ti-in-zircon and Zr-in-rutile thermometers. Contrib. Mineral. Petrol., 154, 429-437.
    • (2007) Contrib. Mineral. Petrol , vol.154 , pp. 429-437
    • Ferry, J.M.1    Watson, E.B.2
  • 6
    • 33846115879 scopus 로고    scopus 로고
    • Structure and chemistry of zircon and zircon-group minerals
    • Finch, R. J. & Hanchar, J. M. (2003): Structure and chemistry of zircon and zircon-group minerals. Rev. Mineral. Geochem., 53, 1-25.
    • (2003) Rev. Mineral. Geochem , vol.53 , pp. 1-25
    • Finch, R.J.1    Hanchar, J.M.2
  • 8
    • 0001564460 scopus 로고    scopus 로고
    • Generalized gradient theory for silica phase transitions
    • Hamann, D.R. (1996): Generalized gradient theory for silica phase transitions. Phys. Rev. Lett., 76, 660-663.
    • (1996) Phys. Rev. Lett , vol.76 , pp. 660-663
    • Hamann, D.R.1
  • 9
    • 33847784153 scopus 로고    scopus 로고
    • Zircon - tiny but timely
    • Harley, S.L. & Kelly, N.M. (2007): Zircon - tiny but timely. Elements, 3, 13-18.
    • (2007) Elements , vol.3 , pp. 13-18
    • Harley, S.L.1    Kelly, N.M.2
  • 11
    • 34547101688 scopus 로고    scopus 로고
    • Temperature spectra of zircon crystallization in plutonic rocks
    • Harrison, T.M., Watson, E.B., Aikman, A.B. (2007): Temperature spectra of zircon crystallization in plutonic rocks. Geology, 35, 635-638.
    • (2007) Geology , vol.35 , pp. 635-638
    • Harrison, T.M.1    Watson, E.B.2    Aikman, A.B.3
  • 12
    • 0031812451 scopus 로고    scopus 로고
    • Heat capacity and thermodynamic properties for coesite and jadeite, reexamination of the quartz-coesite equilibrium boundary
    • Hemingway, B.S., Bohlen, S.R., Hankins, W.B., Westrum, E.F., Kuskov, O.L. (1998): Heat capacity and thermodynamic properties for coesite and jadeite, reexamination of the quartz-coesite equilibrium boundary. Am. Mineral., 83, 409-418.
    • (1998) Am. Mineral , vol.83 , pp. 409-418
    • Hemingway, B.S.1    Bohlen, S.R.2    Hankins, W.B.3    Westrum, E.F.4    Kuskov, O.L.5
  • 13
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg, P. & Kohn, W. (1964): Inhomogeneous electron gas. Phys. Rev. B, 136, B864-B871.
    • (1964) Phys. Rev. B , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 14
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn, W. & Sham, L.J. (1965): Self-consistent equations including exchange and correlation effects. Phys. Rev., 140, 1133-1138.
    • (1965) Phys. Rev , vol.140 , pp. 1133-1138
    • Kohn, W.1    Sham, L.J.2
  • 15
    • 0031685449 scopus 로고    scopus 로고
    • A statistical-mechanics model of ordering in aluminosilicate solid solutions
    • Myers, E.R. (1998): A statistical-mechanics model of ordering in aluminosilicate solid solutions. Phys. Chem. Minerals, 25, 465-468.
    • (1998) Phys. Chem. Minerals , vol.25 , pp. 465-468
    • Myers, E.R.1
  • 17
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab-initio total-energy calculations: Molecular-dynamics and conjugate gradients
    • Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., Joannopoulos, J.D. (1992): Iterative minimization techniques for ab-initio total-energy calculations: molecular-dynamics and conjugate gradients. Rev. Modern Phys., 64, 1045-1097.
    • (1992) Rev. Modern Phys , vol.64 , pp. 1045-1097
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, J.D.5
  • 18
    • 18144378706 scopus 로고
    • Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
    • Perdew, J.P. & Wang, Y. (1991): Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation. Phys. Rev. B, 33, 8800-8802.
    • (1991) Phys. Rev. B , vol.33 , pp. 8800-8802
    • Perdew, J.P.1    Wang, Y.2
  • 19
    • 0001527630 scopus 로고
    • The structure of zircon: A comparison with garnet
    • Robinson, K., Gibbs, G.V., Ribbe, P.H. (1971): The structure of zircon: a comparison with garnet. Am. Mineral., 56, 782-790.
    • (1971) Am. Mineral , vol.56 , pp. 782-790
    • Robinson, K.1    Gibbs, G.V.2    Ribbe, P.H.3
  • 20
    • 48549112275 scopus 로고
    • Generalized cluster description of multicomponent systems
    • Sanchez, J.M., Ducastelle, F., Gratias, D. (1984): Generalized cluster description of multicomponent systems. Physica A, 128, 334-350.
    • (1984) Physica A , vol.128 , pp. 334-350
    • Sanchez, J.M.1    Ducastelle, F.2    Gratias, D.3
  • 21
    • 84944648082 scopus 로고
    • Revised effective ionic-radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Cryst., 32
    • Shannon, R.D. (1976): Revised effective ionic-radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Cryst., 32, Sect. A, 751-767.
    • (1976) Sect. A , pp. 751-767
    • Shannon, R.D.1
  • 22
    • 33750578299 scopus 로고    scopus 로고
    • Tradeoffs in chemical and thermal variations in the post-perovskite phase transition: Mixed phase regions in the deep lower mantle?
    • Spera, F.J., Yuen, D.A., Giles, G. (2006): Tradeoffs in chemical and thermal variations in the post-perovskite phase transition: mixed phase regions in the deep lower mantle? Phys. Earth Planet. Interiors, 159, 234-246.
    • (2006) Phys. Earth Planet. Interiors , vol.159 , pp. 234-246
    • Spera, F.J.1    Yuen, D.A.2    Giles, G.3
  • 26
    • 18244390941 scopus 로고    scopus 로고
    • Zircon thermometer reveals minimum melting conditions on earliest earth
    • Watson, E.B. & Harrison, T.M. (2005): Zircon thermometer reveals minimum melting conditions on earliest earth. Science, 308, 841-844.
    • (2005) Science , vol.308 , pp. 841-844
    • Watson, E.B.1    Harrison, T.M.2
  • 27
    • 33645035223 scopus 로고    scopus 로고
    • Crystallization thermometers for zircon and rutile
    • Watson, E.B., Wark, D.A., Thomas, J.B. (2006): Crystallization thermometers for zircon and rutile. Contrib, Mineral. Petrol., 151, 413-433.
    • (2006) Contrib, Mineral. Petrol , vol.151 , pp. 413-433
    • Watson, E.B.1    Wark, D.A.2    Thomas, J.B.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.