GRAPHITIC POLYMER STRIPS WITH EDGE STATES

被引:232
作者
KLEIN, DJ
机构
[1] Department of Marine Sciences, Texas A and M University at Galveston, Galveston
关键词
D O I
10.1016/0009-2614(93)E1378-T
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The Huckel band structure is analytically investigated for a family of arbitrary-width pi-network polymers which may be viewed as being cut from the graphite lattice. For wider strips a portion of two nearly nonbonding bands on either side of the Fermi energy are found to be localized to opposite edges of the strip. Novel consequences of these edge-localized band orbitals are considered and correlated to a simple resonating valence bond picture.
引用
收藏
页码:261 / 265
页数:5
相关论文
共 16 条
[1]   ARE INTERMEDIATE STATES RESPONSIBLE FOR CERTAIN SPECIFIC PROPERTIES OF BIOLOGICAL MACROMOLECULES [J].
BICZO, G ;
LUKOVITS, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (01) :31-42
[2]  
BICZO G, 1981, RECENT DEV CONDENSED, V2, P341
[3]   2-ELECTRON THEORY OF NON-INTERACTING SURFACE AND IMPURITY STATES [J].
DAVISON, SG ;
TAN, WK .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (03) :549-&
[4]  
DAVISON SG, 1968, INT J QUANTUM CHEM S, V2, P313
[5]   ON THE VIBRATION OF DISORDERED LINEAR LATTICE [J].
HORI, J ;
ASAHI, T .
PROGRESS OF THEORETICAL PHYSICS, 1957, 17 (04) :523-542
[6]   DIMER COVERINGS AND KEKULE STRUCTURES ON HONEYCOMB LATTICE STRIPS [J].
KLEIN, DJ ;
HITE, GE ;
SEITZ, WA ;
SCHMALZ, TG .
THEORETICA CHIMICA ACTA, 1986, 69 (5-6) :409-423
[7]   SYMMETRY OF INFINITE TUBULAR POLYMERS - APPLICATION TO BUCKYTUBES [J].
KLEIN, DJ ;
SEITZ, WA ;
SCHMALZ, TG .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (06) :1231-1236
[8]  
KOUTECKY J, 1976, PROGR SURFACE MEMBRA, V11, P1
[9]   ABINITIO SELF-CONSISTENT-FIELD METHOD USING LINEAR COMBINATIONS OF ATOMIC ORBITALS FOR CALCULATION OF SURFACE-STATES OF 3-DIMENSIONAL CRYSTALS [J].
LADIK, J .
PHYSICAL REVIEW B, 1978, 17 (04) :1663-1669
[10]   ABINITIO SELF-CONSISTENT FIELD-THEORY FOR THE TREATMENT OF INTERFACE BETWEEN 2 DIFFERENT QUASI-ONE-DIMENSIONAL CHAINS [J].
LADIK, J .
PROGRESS IN SURFACE SCIENCE, 1987, 26 (1-4) :135-143