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

被引：207

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

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 26期

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

页码：5527 / 5530

页数：4