THE ELECTRONIC-STRUCTURE OF DIAMOND-LIKE AMORPHOUS-CARBON

被引：19

作者：

WANG, CZ ^{[1
]}

HO, KM ^{[1
]}

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS & ASTRON,AMES,IA 50011

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1994年 / 6卷 / 17期

关键词：

D O I：

10.1088/0953-8984/6/17/002

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of diamond-like amorphous carbon is investigated using a tight-binding molecular dynamics method. The study shows that bonding and antibonding of pi-states associated with pairs and quartets of threefold 'defected atoms' embedded in the fourfold matrix yield a band gap of about 2 eV as observed in optical absorption experiments. These states are in general very localized. However, coupling between the threefold 'defects' can produce delocalized states near the band gap, which is essential for electronic conductivity in the material.

引用

页码：L239 / L244

页数：6

共 19 条

[1] RAMAN-SCATTERING OF LASER-DEPOSITED AMORPHOUS-CARBON [J].

BACSA, WS ;

LANNIN, JS ;

PAPPAS, DL ;

CUOMO, JJ .

PHYSICAL REVIEW B, 1993, 47 (16) :10931-10934

[2] EELS ANALYSIS OF VACUUM ARC-DEPOSITED DIAMOND-LIKE FILMS [J].

BERGER, SD ;

MCKENZIE, DR ;

MARTIN, PJ .

PHILOSOPHICAL MAGAZINE LETTERS, 1988, 57 (06) :285-290

[3] ATOMIC-STRUCTURE AND PHYSICAL-PROPERTIES OF AMORPHOUS-CARBON AND ITS HYDROGENATED ANALOGS [J].

FRAUENHEIM, T ;

BLAUDECK, P ;

STEPHAN, U ;

JUNGNICKEL, G .

PHYSICAL REVIEW B, 1993, 48 (07) :4823-4834

[4] NEUTRON-SCATTERING STUDIES OF THE STRUCTURE OF HIGHLY TETRAHEDRAL AMORPHOUS DIAMOND-LIKE CARBON [J].

GASKELL, PH ;

SAEED, A ;

CHIEUX, P ;

MCKENZIE, DR .

PHYSICAL REVIEW LETTERS, 1991, 67 (10) :1286-1289

[5] 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

[6] ENERGETICS AND STABILITY OF DIAMOND-LIKE AMORPHOUS-CARBON [J].

KELIRES, PC .

PHYSICAL REVIEW LETTERS, 1992, 68 (12) :1854-1857

[7] COMPRESSIVE-STRESS-INDUCED FORMATION OF THIN-FILM TETRAHEDRAL AMORPHOUS-CARBON [J].

MCKENZIE, DR ;

MULLER, D ;

PAILTHORPE, BA .

PHYSICAL REVIEW LETTERS, 1991, 67 (06) :773-776

[8] HARD AMORPHOUS (DIAMOND-LIKE) CARBONS [J].

ROBERTSON, J .

PROGRESS IN SOLID STATE CHEMISTRY, 1991, 21 (04) :199-333

[9] DEPOSITION OF DIAMOND-LIKE CARBON [J].

ROBERTSON, J .

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1993, 342 (1664) :277-286

[10] STRUCTURAL-PROPERTIES OF SP3-BONDED HYDROGENATED AMORPHOUS-CARBON [J].

TERSOFF, J .

PHYSICAL REVIEW B, 1991, 44 (21) :12039-12042

← 1 2 →