EFFECT OF MOLECULAR ORIENTATIONAL DISORDER ON THE ELECTRONIC-STRUCTURE OF K3C60

被引：16

作者：

GUPTA, RP ^{[1
]}

GUPTA, M ^{[1
]}

机构：

[1] UNIV PARIS 11,INST SCI MAT,F-91405 ORSAY,FRANCE

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 17期

关键词：

D O I：

10.1103/PhysRevB.47.11635

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The results of electronic structure calculations for the orientationally disordered molecules in K3C60 are presented using the tight-binding recursion method and compared to those in the orientationally ordered state. We find that the electronic densities of states (DOS) in the two cases are quite similar. However, due to a slight broadening of the DOS curve and a shift in the Fermi level (E(F)), the value of DOS at E(F) is lower in the orientationally disordered structure.

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页码：11635 / 11638

页数：4

相关论文

共 18 条

[1] ELECTRONIC STATES OF KXC60 - INSULATING, METALLIC, AND SUPERCONDUCTING CHARACTER [J].

BENNING, PJ ;

MARTINS, JL ;

WEAVER, JH ;

CHIBANTE, LPF ;

SMALLEY, RE .

SCIENCE, 1991, 252 (5011) :1417-1419

[2] SYNCHROTRON X-RAY STUDY OF ORIENTATIONAL ORDER IN SINGLE-CRYSTAL C-60 AT ROOM-TEMPERATURE [J].

CHOW, PC ;

JIANG, X ;

REITER, G ;

WOCHNER, P ;

MOSS, SC ;

AXE, JD ;

HANSON, JC ;

MCMULLAN, RK ;

MENG, RL ;

CHU, CW .

PHYSICAL REVIEW LETTERS, 1992, 69 (20) :2943-2946

[3] CRYSTAL-STRUCTURE AND BONDING OF ORDERED C60 [J].

DAVID, WIF ;

IBBERSON, RM ;

MATTHEWMAN, JC ;

PRASSIDES, K ;

DENNIS, TJS ;

HARE, JP ;

KROTO, HW ;

TAYLOR, R ;

WALTON, DRM .

NATURE, 1991, 353 (6340) :147-149

[4] THEORETICAL FERMI-SURFACE PROPERTIES AND SUPERCONDUCTING PARAMETERS FOR K3C60 [J].

ERWIN, SC ;

PICKETT, WE .

SCIENCE, 1991, 254 (5033) :842-845

[5] RELATION OF STRUCTURE AND SUPERCONDUCTING TRANSITION-TEMPERATURES IN A3C60 [J].

FLEMING, RM ;

RAMIREZ, AP ;

ROSSEINSKY, MJ ;

MURPHY, DW ;

HADDON, RC ;

ZAHURAK, SM ;

MAKHIJA, AV .

NATURE, 1991, 352 (6338) :787-788

[6] ORIENTATIONAL DISORDER AND ELECTRONIC STATES IN C-60 AND A3C60, WHERE A IS AN ALKALI-METAL [J].

GELFAND, MP ;

LU, JP .

PHYSICAL REVIEW LETTERS, 1992, 68 (07) :1050-1053

[7] A NEW TIGHT-BINDING PARAMETRIZATION FOR CARBON [J].

GOODWIN, L .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (22) :3869-3878

[8] ELECTRONIC-STRUCTURE OF CRYSTALLINE AND AMORPHOUS-SILICON DIOXIDE [J].

GUPTA, RP .

PHYSICAL REVIEW B, 1985, 32 (12) :8278-8292

[9]

HAYDOCK R, 1980, SOLID STATE PHYSICS, V35

[10] ELECTRONIC-STRUCTURES OF K3C60, RBK2C60, RB2KC60, RB3C60, RB2CSC60, AND CS3C60 CRYSTALS [J].

HUANG, MZ ;

XU, YN ;

CHING, WY .

PHYSICAL REVIEW B, 1992, 46 (10) :6572-6577