FACTORS AFFECTING THE METALLIC VERSUS SEMICONDUCTING PROPERTIES OF CHARGE-TRANSFER SALTS CONTAINING [M(DDDT)(2)](2) AND [M(DMIT)(2)](2) (M=PD, PT) DIMERS

被引：32

作者：

DOUBLET, ML

CANADELL, E

POUGET, JP

YAGUBSKII, EB

REN, J

WHANGBO, MH

机构：

[1] UNIV PARIS 11,CNRS,PHYS SOLIDES LAB 2,F-91405 ORSAY,FRANCE

[2] RUSSIAN ACAD SCI,INST CHEM PHYS,CHERNOGOLOVKA 142432,RUSSIA

[3] N CAROLINA STATE UNIV,DEPT CHEM,RALEIGH,NC 27695

来源：

SOLID STATE COMMUNICATIONS | 1993年 / 88卷 / 09期

关键词：

D O I：

10.1016/0038-1098(93)90627-Y

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

To understand the structural and electronic factors controlling the metallic versus semiconducting properties of the beta-type charge transfer salts containing the [M(dddt)(2)](+)(2) and [M(dmit)(2)](-)(2) (M = Pd, Pt) dimer units, we calculated their tight-binding electronic band structures. Our analysis shows that the partially filled band of both types of salts is derived either from the HOMO or from the LUMO of their monomer unit depending upon the extent of dimerization. A good electrical conductivity is expected for strongly dimerized M(dmit)(2) systems and for weakly dimerized M(dddt)(2) systems.

引用

收藏

页码：699 / 703

页数：5

相关论文

共 18 条

[1] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS [J].

AMMETER, JH ;

BURGI, HB ;

THIBEAULT, JC ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) :3686-3692

[2] ELECTRONIC-STRUCTURE OF MOTT INSULATORS [J].

BRANDOW, BH .

ADVANCES IN PHYSICS, 1977, 26 (05) :651-808

[3] CONCERNING THE BAND-STRUCTURE OF D(M(DMIT)2)2 (D=TTF,CS, NME4-M=NI,PD) MOLECULAR CONDUCTORS AND SUPERCONDUCTORS - ROLE OF THE M(DMIT)2 HOMO AND LUMO [J].

CANADELL, E ;

RAVY, S ;

POUGET, JP ;

BROSSARD, L .

SOLID STATE COMMUNICATIONS, 1990, 75 (08) :633-638

[4] ON THE BAND ELECTRONIC-STRUCTURE OF X[M(DMIT)2]2 (X=TTF, (CH3)4N - M=NI, PD) MOLECULAR CONDUCTORS AND SUPERCONDUCTORS [J].

CANADELL, E ;

RACHIDI, IEI ;

RAVY, S ;

POUGET, JP ;

BROSSARD, L ;

LEGROS, JP .

JOURNAL DE PHYSIQUE, 1989, 50 (19) :2967-2981

[5]

DOUBLET ML, UNPUB

[6] CRYSTAL-STRUCTURE AND PRESSURE-DEPENDENCE OF ELECTRICAL CONDUCTIVITIES OF [(CH3)4N][PT(DMIT)2]2 [J].

KOBAYASHI, A ;

MIYAMOTO, A ;

KOBAYASHI, H ;

CLARK, A ;

UNDERHILL, AE .

JOURNAL OF MATERIALS CHEMISTRY, 1991, 1 (05) :827-830

[7] CRYSTAL AND ELECTRONIC-STRUCTURES OF NEW MOLECULAR CONDUCTORS TETRAMETHYLAMMONIUM AND TETRAMETHYLARSONIUM COMPLEXES OF PD(DMIT)2 [J].

KOBAYASHI, A ;

KIM, H ;

SASAKI, Y ;

MURATA, K ;

KATO, R ;

KOBAYASHI, H .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (02) :361-369

[8] NEW MOLECULAR SUPERCONDUCTOR, BETA-[(CH3)4N] [PD(DMIT)2]2 [J].

KOBAYASHI, A ;

KOBAYASHI, H ;

MIYAMOTO, A ;

KATO, R ;

CLARK, RA ;

UNDERHILL, AE .

CHEMISTRY LETTERS, 1991, (12) :2163-2166

[9]

LEGROS JP, 1988, SYNTHETIC MET, V27, pB347, DOI 10.1016/0379-6779(88)90167-1

[10] POLYMORPHISM OF THE HIGHLY CONDUCTING METAL-COMPLEX TETRAHIAFULVALENE[PD(4,5-DIMERCAPTO-1,3-DITHIA-2-THIONE)2]2 [J].

LEGROS, JP ;

VALADE, L .

SOLID STATE COMMUNICATIONS, 1988, 68 (07) :599-604