THEORETICAL INVESTIGATION OF THE MAGNETIC DIPOLE AND ELECTRIC QUADRUPOLE CONTRIBUTIONS TO THE SECOND-HARMONIC GENERATION IN C-60 AND C-70

被引：7

作者：

SHUAI, Z

BREDAS, JL

机构：

[1] Service de Chimie des Matériaux Nouveaux, Centre de Recherche en Electronique et Photonique Moléculaires, Université de Mons-Hainaut

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1994年 / 256卷

关键词：

D O I：

10.1080/10587259408039328

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

We develop the Valence Effective Hamiltonian method to calculate the magnetic dipole (MD) and electric quadrupole (EQ) contributions to the hyperpolarizability beta of molecular systems. For both the C-60 and C-70 molecules, we find that the MD contribution leads to a beta value which is several times larger than that of the EQ contribution. Taking into account the local field correction factor for C-60 in solid state, we calculate chi((2)) susceptibility values that are in excellent agreement with recent experimental data.

引用

页码：801 / 806

页数：6

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