1ST PRINCIPLES INVESTIGATION ON THE VALIDITY OF THE PEIERLS MECHANISM FOR THE DIMERIZATION ENERGY OF TRANSPOLYACETYLENE

被引:17
作者
ASHKENAZI, J
PICKETT, WE
KLEIN, BM
KRAKAUER, H
WANG, CS
机构
[1] USN,RES LAB,CONDENSED MATTER PHYS BRANCH,WASHINGTON,DC 20375
[2] COLL WILLIAM & MARY,DEPT PHYS,WILLIAMSBURG,VA 23185
[3] UNIV MARYLAND,DEPT PHYS & ASTRON,COLLEGE PK,MD 20742
关键词
D O I
10.1016/0379-6779(87)90102-0
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:301 / 304
页数:4
相关论文
共 16 条
[1]   1ST PRINCIPLES 3-DIMENSIONAL BAND-STRUCTURE OF TRANS-POLYACETYLENE [J].
ASHKENAZI, J ;
EHRENFREUND, E ;
VARDENY, Z ;
BRAFMAN, O .
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1985, 117 (1-4) :193-196
[2]   ELECTRON CORRELATIONS IN POLYACETYLENE [J].
BAERISWYL, D ;
MAKI, K .
PHYSICAL REVIEW B, 1985, 31 (10) :6633-6642
[3]   STRUCTURAL DETERMINATION OF THE SYMMETRY-BREAKING PARAMETER IN TRANS-(CH)X [J].
FINCHER, CR ;
CHEN, CE ;
HEEGER, AJ ;
MACDIARMID, AG ;
HASTINGS, JB .
PHYSICAL REVIEW LETTERS, 1982, 48 (02) :100-104
[4]  
Grant P. M., 1983, Journal de Physique Colloque, V44, P437
[5]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[6]   STRUCTURAL-PROPERTIES OF TRANS-(CH)X AND CIS-(CH)X [J].
KAHLERT, H ;
LEITNER, O ;
LEISING, G .
SYNTHETIC METALS, 1987, 17 (1-3) :467-472
[7]  
KIVELSON S, 1986, PREPRINT
[8]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[9]  
LING Y, 1986, PREPRINT
[10]   LOCAL-DENSITY FUNCTIONAL-APPROACH TO ALL-TRANS-POLYACETYLENE [J].
MINTMIRE, JW ;
WHITE, CT .
PHYSICAL REVIEW B, 1983, 28 (06) :3283-3290