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- W1997310068 abstract "Metastable phases of silver and gold in hexagonal close-packed structures are investigated by means of first-principles total-energy calculations. Two different methods are employed to find the equilibrium states: determination of the minima along the hexagonal epitaxial Bain path, and direct determination of minima of the total energy by a new minimum-path procedure. Both metals have two equilibrium states at different values of the hexagonal axial ratio c/a. For both metals, the elastic constants show that the high-c/a states are stable, hence, since the ground states are face-centred cubic, these states represent hexagonal close-packed metastable phases. The elastic constants of the low-c/a states show that they are unstable." @default.
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- W1997310068 date "2004-07-02" @default.
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- W1997310068 title "Metastable phases of silver and gold in hexagonal structure" @default.
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- W1997310068 doi "https://doi.org/10.1088/0953-8984/16/28/038" @default.
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