A BOND POLARIZABILITY MODEL FOR THE C-60 RAMAN-SPECTRUM

被引：57

作者：

SNOKE, DW ^{[1
]}

CARDONA, M ^{[1
]}

机构：

[1] MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART,GERMANY

来源：

SOLID STATE COMMUNICATIONS | 1993年 / 87卷 / 02期

关键词：

D O I：

10.1016/0038-1098(93)90339-O

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We have used a force-constant model to calculate all of the Raman- and infrared-active vibrational mode frequencies of Ceo within 3% of experimental values. Using the eigenvectors of the vibrations predicted by this model, we calculate the relative intensities of all of the Raman lines via a bond polarizability model. We compare the bond polarizabilities predicted by our model to those of single and double carbon-carbon bonds in hydrocarbons.

引用

页码：121 / 126

页数：6

共 24 条

[1] 1ST-PRINCIPLES QUANTUM-MOLECULAR-DYNAMICS STUDY OF THE VIBRATIONS OF ICOSAHEDRAL C60 [J].

ADAMS, GB ;

PAGE, JB ;

SANKEY, OF ;

SINHA, K ;

MENENDEZ, J ;

HUFFMAN, DR .

PHYSICAL REVIEW B, 1991, 44 (08) :4052-4055

[2] LATTICE-DYNAMICAL MODEL FOR GRAPHITE [J].

ALJISHI, R ;

DRESSELHAUS, G .

PHYSICAL REVIEW B, 1982, 26 (08) :4514-4522

[3] PIEZO-RAMAN MEASUREMENTS AND ANHARMONIC PARAMETERS IN SILICON AND DIAMOND [J].

ANASTASSAKIS, E ;

CANTARERO, A ;

CARDONA, M .

PHYSICAL REVIEW B, 1990, 41 (11) :7529-7535

[4] TRANSFERABILITY OF THE BOND POLARIZABILITIES - FROM SATURATED-HYDROCARBONS TO DIAMOND [J].

BERMEJO, D ;

MONTERO, S ;

CARDONA, M ;

MURAMATSU, A .

SOLID STATE COMMUNICATIONS, 1982, 42 (03) :153-155

[5] VIBRATIONAL RAMAN AND INFRARED-SPECTRA OF CHROMATOGRAPHICALLY SEPARATED C60 AND C70 FULLERENE CLUSTERS [J].

BETHUNE, DS ;

MEIJER, G ;

TANG, WC ;

ROSEN, HJ ;

GOLDEN, WG ;

SEKI, H ;

BROWN, CA ;

DEVRIES, MS .

CHEMICAL PHYSICS LETTERS, 1991, 179 (1-2) :181-186

[6]

Cardona M, 1982, LIGHT SCATTERING SOL

[7]

CHASE B, IN PRESS J CHEM PHYS

[8] THE VIBRATIONAL RAMAN-SPECTRA OF C-60 AND C-70 [J].

DENNIS, TJ ;

HARE, JP ;

KROTO, HW ;

TAYLOR, R ;

WALTON, DRM ;

HENDRA, PJ .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1991, 47 (9-10) :1289-1292

[9] THE INFLUENCE OF OXYGEN ON THE RAMAN-SPECTRUM OF C60 FILMS [J].

DUCLOS, SJ ;

HADDON, RC ;

GLARUM, SH ;

HEBARD, AF ;

LYONS, KB .

SOLID STATE COMMUNICATIONS, 1991, 80 (07) :481-484

[10] ELECTRONIC AND VIBRATIONAL PROPERTIES OF C60 AT FINITE TEMPERATURE FROM ABINITIO MOLECULAR-DYNAMICS [J].

FEUSTON, BP ;

ANDREONI, W ;

PARRINELLO, M ;

CLEMENTI, E .

PHYSICAL REVIEW B, 1991, 44 (08) :4056-4059

← 1 2 3 →