Electron spectroscopy of carbon materials: experiment and theory

被引：26

作者：

El-Barbary, A. A. ^{[1
,2
]}

Trasobares, S. ^{[3
,4
]}

Ewels, C. P. ^{[1
,3
]}

Stephan, O. ^{[3
]}

Okotrub, A. V. ^{[5
]}

Bulusheva, L. G. ^{[5
]}

Fall, C. J. ^{[6
]}

Heggie, M. I. ^{[1
]}

机构：

[1] Univ Sussex, Sch Life Sci, Brighton BN1 9QJ, E Sussex, England

[2] Ain Shams Univ, Fac Educ, Dept Phys, Cairo, Egypt

[3] Univ Paris 11, Lab Phys Solides, F-91405 Orsay, France

[4] Univ Cadiz, Dept Ciencia Los Mat Ingn Met Quim, E-11510 Puerto Real, Spain

[5] Russian Acad Sci, Nikolaev Inst Inorgan Chem SB, Moscow 117901, Russia

[6] ELCA Informat SA, CH-1000 Lausanne, Switzerland

来源：

EMAG-NANO 2005: IMAGING, ANALYSIS AND FABRICATION ON THE NANOSCALE | 2006年 / 26卷

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1088/1742-6596/26/1/035

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We present a comparative spectroscopic study of carbon as graphite, diamond and C-60 using C1s K-edge electron energy-loss spectroscopy (EELS), X-ray emission spectroscopy, and theoretical modelling. The first principles calculations of these spectra axe obtained in the local density approximation using a self-consistent Gaussian basis pseudo-potential method. Calculated spectra show excellent agreement with experiment and are able to discriminate not only between various carbon hybridisations but also local variation in environment. Core-hole effects on the calculated spectra are also investigated. For the first time, the EEL spectrum of carbyne is calculated.

引用

页码：149 / +

页数：2

共 12 条

[1]

Briddon PR, 2000, PHYS STATUS SOLIDI B, V217, P131, DOI 10.1002/(SICI)1521-3951(200001)217:1<131::AID-PSSB131>3.0.CO

[2]

2-M

[3]

GLOTER A, 2003, ULTRAMICROSCOPY

[4] Growth process of carbyne crystals by synchrotron irradiation [J].

Kimura, Y ;

Kaito, C ;

Hanamoto, K ;

Sasaki, M ;

Kimura, S ;

Nakada, T ;

Saito, Y ;

Nakayama, Y .

CARBON, 2002, 40 (07) :1043-1050

[5] Carbynes: Advances in the field of linear carbon chain compounds [J].

Kudryavtsev, YP ;

HEimann, RB ;

Evsyukov, SE .

JOURNAL OF MATERIALS SCIENCE, 1996, 31 (21) :5557-5571

[6] Thermodynamics of carbyne [J].

Lebedev, BV .

RUSSIAN CHEMICAL BULLETIN, 2000, 49 (06) :965-975

[7]

Li SY, 2000, CARBON, V38, P934, DOI 10.1016/S0008-6223(00)00056-7

[8] Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach [J].

Lichtenstein, AI ;

Katsnelson, MI .

PHYSICAL REVIEW B, 1998, 57 (12) :6884-6895

[9] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747

[10]

PICKARD C, 1997, THESIS CHRISTS COLL

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