The superhard crystalline three-dimensional polymerized C60 phase

被引：91

作者：

Chernozatonskii, LA

Serebryanaya, NR

Mavrin, BN

机构：

[1] RAS, Inst Biochem Phys, Moscow 117977, Russia

[2] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142092, Moscow Region, Russia

[3] Russian Acad Sci, Inst Spect, Troitsk 142092, Moscow Region, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 316卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(99)01288-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The profile analysis of the diffraction patterns, obtained for C-60 samples quenched from high pressure 13 GPa and temperature 670-820 K, yields proof of the formation of three-dimensional (3D) polymerized C-60 phase. The superhard phase manufactured after 13 GPa, 820 K treatment is characterized by common four-sided ring and (2 + 2) interfullerene cycloadditions in the layer, and (3 + 3) bondings between layers. The unit cell parameters of its body-centred orthorhombic 1mmm crystal structure refined by Rietveld program are equal to: a = 0.867(4), b = 0.881(1), and c = 1.26(0) nm. Lattice dynamics simulation of 3D polymerized C-60 has shown that sound velocities, bulk modulus and broad bands in Raman spectra agree well with the measurements. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：199 / 204

页数：6

共 24 条

[1] POLYMERIZED C-60 STUDIED BY FIRST-PRINCIPLES MOLECULAR-DYNAMICS [J].