C K-V X-RAY-EMISSION SPECTRA OF SOLID C-70 WITH COMPARISON TO C-60

被引：18

作者：

KAWAI, J

MOTOYAMA, M

机构：

[1] INST PHYS & CHEM RES,WAKO,SAITAMA 35101,JAPAN

[2] HYOGO PREFECTURAL INST IND RES,SUMA KU,KOBE 654,JAPAN

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.47.12988

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Carbon K-V x-ray-emission spectra of solid C70 and C60 are measured, and the partial electron densities of states (DOS) are calculated by the discrete-variational (DV) Hartree-Fock-Slater (Xalpha) molecular-orbital (MO) method. The measured x-ray line shapes are compared with the calculated 2p DOS of C70 and C60. The agreement between theory and experiment is satisfactory without any adjustable parameters in the DV-Xalpha MO calculations.

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页码：12988 / 12991

页数：4

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