book reviews\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

ISSN: 2053-2733

Physics meets mineralogy: condensed matter physics in the geosciences. Edited by H. Aoki, Y. Syono & R. J. Hemley. Pp. xi + 397. Cambridge University Press, 2000. Price £65.00, US $100.00. ISBN 0-521-64342-2.

aInstitut für Mineralogie, Universität Salzburg, Hellbrunnerstrasse 34, A-5020 Salzburg, Austria
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Keywords: book review.

This book is of great importance and relevance for mineralogists and crystallographers, in particular for those who are interested in high-pressure and high-temperature solid-state physics as well as geophysics and the study of the deep earth interior. Much scientific progress has recently been made through advances in theoretical and computational solid-state physics using supercomputers and through advances in high-pressure and high-temperature experimental mineralogy using multianvil apparatus and diamond anvil cells. The book is an excellent review of the current interaction between solid-state physics and mineralogy, which has had a high impact on geoscience as well as on materials science. It is dedicated to Professor Y. Matsui, to honour his scientific work, and consists of contributions by internationally recognized researchers. It is an excellent basis for those who want to start their own research in experimental and theoretical high-pressure geophysics and is a relevant presentation for those who are already experts in other fields of geoscience or of crystallography (Part I).

Part II deals with advances in theoretical and experimental techniques and starts with a review by L. Stixrude on the applications of density functional theory with the main focus on local density approximation (LDA) methods and the linearized augmented plane-wave (LAPW) technique, to calculate total energies, equations of state, crystal structures, phase stabilities, and elasticity of some geophysically important oxides and silicates. T. Matsumoto introduces crystallographic orbits of space groups for the description of crystal structures, in particular those related to the fluorite type. L. Finger discusses possible sources of errors in powder diffraction measurements, especially those obtained in energy-dispersive diffraction with synchrotron radiation, often used for in situ high-pressure experiments. Three-dimensional diffraction techniques nowadays allow such studies of elasticity, rheology, texture and strength of minerals at high pressures. A statistical method based on a generalized linear model is presented by A. Kavner et al. to provide best fit phase boundaries to experimentally determined phase diagram data. The melting curve of platinum is analysed as an example.

Part III reviews new findings in oxides and silicates. Using first-principles molecular-orbital (MO) calculations, G. V. Gibbs et al. come to the conclusion that the bond strength of metal-to-oxygen bonds correlates with covalency: the greater the bond strength, the more covalent the bond. R. E. Cohen applies first-principles theory to the ionic mineral MgO and calculates the electronic structure, bonding, thermal equation of state, elasticity, melting, thermal conductivity and diffusivity of this mineral, which can be considered as a model compound providing fundamental information on the high-pressure behaviour of other minerals in the deep earth. Z. Fang et al. report on the phase stability and the various polymorphic structures of MnO and FeO occurring under ultra-high pressure, using first-principles calculations based on the non-local density functional theory. A. Patel et al. review their computer-simulation studies of the lower mantle phases MgSiO3, perovskite and MgO with respect to their thermoelastic properties and diffusion behaviour and outline the geophysical significance of these calculations.

Part IV is dedicated to transformations in crystalline and amorphous silica up to megabar pressures. R. J. Hemley et al. review theoretical advances, including first-principles methods, in the context of recent experimental results and discuss the different high-pressure structures of silica and their extensive metastability, as well as short-range order in high-pressure amorphous silica. Using molecular dynamics calculations (MD), K. Kusaba & Y. Syono report the anisotropic nature of the shock-induced phase transition of TiO2 (rutile). T. Yamanaka & T. Tsuchiya examine both reversible and irreversible amorphization processes in silica by means of X-ray diffraction and MD simulations. T. Yagi & M. Yamakata investigate the effect of hydrostaticity on the phase transformation of cristobalite, which affects not only the transition pressure but also the structure of high-pressure phases.

Part V deals with novel structures and materials. H. Aoki outlines the diversity in crystal structures of materials, from silica to superstructures made up by building blocks at ambient or high pressures, and discusses their interesting electronic and physical properties. The application of high pressure is considered to be a unique tool for realizing novel structures. On the basis of first-principles molecular dynamics simulation, S.Tsuneyuki et al. propose a search for new materials to be found by compressing graphitic layered materials to give an exotic diamond-like material. On the basis of Rietveld analysis and neutron-diffraction data, J. B. Parise et al. reinterpret observations of order–disorder phenomena at high pressure in hydrous phases such as Co(OH)2 compounds as a partial amorphization of the hydrogen sublattice.

Part VI describes melts and crystal–melt interactions and starts with an article by M. Hemmati & C. A. Angel, who have carried out a detailed comparative study of various interatomic potentials for predicting thermodynamic, structural and dynamic properties of liquid silica, and who were successful in modelling the density maximum of liquid silica as a function of temperature. B. T. Poe & D. C. Rubie report state-of-the-art experimental studies of the diffusivity of silicate liquids up to 15 GPa and 2800 K, and have observed a decrease of viscosity with increasing pressure. Y. Waseda & K. Sugiyama report the local structure (radial distribution functions) of oxide melts found by use of new X-ray diffraction techniques such as angle-dispersive, energy-dispersive and anomalous-scattering methods with new intense synchrotron sources, as a function of pressure as well as of temperature. M. Kanzaki examines trace-element partitioning between melt and crystals and calculates the partial excess enthalpy of trace-element substitution in a crystal by means of MD simulation. The partial excess enthalpy has a minimum at the host cation position and increases with increasing degree of misfit to the host ion site. The calculation thus reproduces the partition coefficient versus ionic radii diagrams of Onuma.

In summary, the book is an excellent review of the recent advances in the application of modern condensed-matter physics in high-pressure and high-temperature mineralogy and the study of the deep earth interior. However, the book does not cover the whole field where physics meets mineralogy, e.g. physical properties of minerals such as magnetism or electrical conductivity, which also are of great geophysical importance, are not discussed very profoundly.

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