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Transactions of the Materials Research Society of Japan
Vol. 40 (2015) No. 2 p. 141-144

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http://doi.org/10.14723/tmrsj.40.141

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Our previous study showed that amorphous HfO2, ZrO2, TiO2, In2O3, Ga2O3, Al2O3, and Cu2O adopt dual-random-sphere-packing (Dual-RSP) structures. Since crystalline Li2O adopts a dual-crystalline-sphere-packing structure, namely the superposition of the simple cubic structure of lithium and the face-centered-cubic structure of oxygen, it is also expected that liquid and amorphous Li2O adopt Dual-RSP structures. In this paper, to verify this, we performed ab initio molecular dynamics simulations. Our results show that the Dual-RSP model is also applicable to liquid and amorphous Li2O.

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