Packing of Tetrahedral Hg

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概要

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• The Voronoi--Delaunay tessellation indicates that the local structure of expanded liquid Hg is characterized by the packing of edge-shared (E-S) tetrahedral Hg<inf>4</inf>blocks and corner-shared (C-S) tetrahedral Hg<inf>4</inf>blocks. The thermal expansion causes the removal of four top sites with an edge length of {\sim}3.1 Å and two corner sites with an edge length of {\sim}3.6 Å from hexagonally close-packed E-S tetrahedral blocks. Such removal is compensated by the creation of large voids (L-voids) {\sim}3.6 Å in radius, enclosed with a three-coordinate C-S tetrahedral network. This results in the conversion of connectivity from E-S blocks [metallic domains (M domains)] to C-S blocks [nonmetallic domains (NM domains)] near the metal--nonmetal (M--NM) transition. The population of M domains estimated from the number fraction of tetrahedral Hg<inf>4</inf>blocks at 9.5 g cm^-3near the M--NM transition region is close to the value estimated for the critical volume fraction {\sim}0.16 for the continuum percolation. The structural transformation near the M--NM transition region is accompanied with the microsegregation (clustering) of M and NM domains.

• 2013-12-15

著者

• Maruyama Kenji

  Faculty Of Science Niigata University

• Endo Hirohisa

  Faculty Of Engineering Fukui Institute Of Technology

• Hoshino Hideoki

  Faculty Of Education Hirosaki University

• Maruyama Kenji

  Faculty of Science, Niigata University, Niigata 950-2181, Japan

• Endo Hirohisa

  Faculty of Science, Kyoto University, Kyoto 606-8224, Japan

• Odagaki Takashi

  School of Science and Engineering, Tokyo Denki University, Hatoyama, Saitama 350-0394, Japan

• Hensel Friedrich

  Physikalische Chemie, Philipps-Universität Marburg, 35032 Marburg, Germany

• Hensel Friedrich

  Physikalische Chemie, Philipps-Universität Marburg, 35032 Marburg, Germany

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