STRUCTURE OF AMORPHOUS HYDROGENATED CARBON - EXPERIMENT AND COMPUTER-SIMULATION

被引：20

作者：

WEILER, M ^{[1
]}

KLEBER, R ^{[1
]}

SATTEL, S ^{[1
]}

JUNG, K ^{[1
]}

EHRHARDT, H ^{[1
]}

JUNGNICKEL, G ^{[1
]}

DEUTSCHMANN, S ^{[1
]}

STEPHAN, U ^{[1
]}

BLAUDECK, P ^{[1
]}

FRAUENHEIM, T ^{[1
]}

机构：

[1] TECH UNIV CHEMNITZ,FACHBEREICH PHYS TECH,O-9010 CHEMNITZ,GERMANY

来源：

关键词：

D O I：

10.1016/0925-9635(94)90087-6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The microstructure of amorphous hydrogenated carbon films has been studied by electron diffraction measurements and comparison of the results with simulated diffraction data which have been modelled by molecular dynamics (MD) calculations. The films have been produced partly by a plasma-enhanced chemical vapour deposition process and partly by a plasma beam deposition method. The MD simulation is based on an annealing process cooling down a liquid phase ensemble of 64 carbon and a corresponding number of hydrogen atoms using a density functional approach to account for the interatomic forces.

引用

页码：245 / 253

页数：9

共 24 条

[1]

Angus J.C., 1986, PLASMA DEPOSITED THI, P89

[2]

BERGER SD, 1988, PHIL MAG LETT, V57, P6

[3] A METHOD AND RESULTS FOR REALISTIC MOLECULAR DYNAMIC SIMULATION OF HYDROGENATED AMORPHOUS-CARBON STRUCTURES USING A SCHEME CONSISTING OF A LINEAR COMBINATION OF ATOMIC ORBITALS WITH THE LOCAL-DENSITY APPROXIMATION [J].

BLAUDECK, P ;

FRAUENHEIM, T ;

POREZAG, D ;

SEIFERT, G ;

FROMM, E .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1992, 4 (30) :6389-6400

[4] STABILITY AND STRUCTURE OF AMORPHOUS HYDROGENATED CARBONS - A MOLECULAR DYNAMIC INVESTIGATION [J].

BLAUDECK, P ;

FRAUENHEIM, T ;

JUNGNICKEL, G ;

STEPHAN, U .

SOLID STATE COMMUNICATIONS, 1993, 85 (12) :997-1000

[5]

DEUTSCHMANN S, UNPUB

[6] POLYMER-LIKE AND HARD AMORPHOUS HYDROGENATED CARBON-FILMS PREPARED IN AN INDUCTIVELY COUPLED R.F. GLOW-DISCHARGE [J].

DWORSCHAK, W ;

KLEBER, R ;

FUCHS, A ;

SCHEPPAT, B ;

KELLER, G ;

JUNG, K ;

EHRHARDT, H .

THIN SOLID FILMS, 1990, 189 (02) :257-267

[7] MOLECULAR DYNAMIC STRUCTURE INVESTIGATIONS OF THE ADSORPTION AND BONDING OF CXHY-HYDROCARBON MOLECULES RADICALS ON A DIAMOND (111) SURFACE [J].

FRAUENHEIM, T ;

BLAUDECK, P .

APPLIED SURFACE SCIENCE, 1992, 60-1 :281-290

[8] ABINITIO CALCULATION OF PROPERTIES OF CARBON IN THE AMORPHOUS AND LIQUID STATES [J].

GALLI, G ;

MARTIN, RM ;

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW B, 1990, 42 (12) :7470-7482

[9] MOLECULAR-DYNAMICS SIMULATION OF THE GROWTH OF DIAMOND-LIKE FILMS BY ENERGETIC CARBON-ATOM BEAMS [J].

KAUKONEN, HP ;

NIEMINEN, RM .

PHYSICAL REVIEW LETTERS, 1992, 68 (05) :620-623

[10] INVESTIGATIONS OF THE STRUCTURE OF A-C-H FILMS [J].

KLEBER, R ;

DWORSCHAK, W ;

GERBER, J ;

KRUGER, A ;

JUNG, K ;

EHRHARDT, H ;

SCHULZE, S ;

MUHLING, I ;

DEUTSCHMANN, S ;

SCHARFF, W ;

ENGELKE, F ;

METZ, H .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1991, 140 :775-779

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