Crystal structure of carbon dioxide at high pressure:: "Superhard" polymeric carbon dioxide

被引:210
作者
Yoo, CS [1 ]
Cynn, H
Gygi, F
Galli, G
Iota, V
Nicol, M
Carlson, S
Häusermann, D
Mailhiot, C
机构
[1] Univ Calif Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] Univ Nevada, High Pressure Sci Ctr, Las Vegas, NV 89154 USA
[3] European Synchrotron Radiat Facil, F-38043 Grenoble, France
关键词
D O I
10.1103/PhysRevLett.83.5527
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The crystal structures of two molecular phases (I and III) and a polymeric phase (V) of CO2 have been investigated to 60 GPa. CO2-I (Pa3) transforms to CO2-III (Cmca) at 12 GPa with almost no I:change of density. Although CO2-III persists in Cmca to at least 60 GPa at ambient temperature, it transforms when heated to 1800 K above 49 GPa to-tridymite, (P2(1)2(1)2(1)) CO2-V with 15.3% volume change. Each carbon atom of CO2-V is tetrahedrally bonded to four oxygen atoms. CO2-V is likely superhard with low compressibility B-0 = 365 GPa, similar to cubic BN.
引用
收藏
页码:5527 / 5530
页数:4
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