ELECTRONIC-STRUCTURE OF SUPERCONDUCTING BA6C60

被引：43

作者：

ERWIN, SC ^{[1
]}

机构：

[1] USN,RES LAB,COMPLEX SYST THEORY BRANCH,WASHINGTON,DC 20375

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 21期

关键词：

D O I：

10.1103/PhysRevB.47.14657

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report the results of first-principles electronic-structure calculations for superconducting Ba6C60. Unlike the A3C60 superconductors, this new compound shows strong Ba-C hybridization in the valence and conduction regions, mixed covalent-ionic bonding character, partial charge transfer, and insulating band structure, with a very small or zero gap within the local-density approximation.

引用

页码：14657 / 14660

页数：4

共 15 条

[1] ELECTRONIC-STRUCTURE OF CRYSTALLINE K6C60 [J].

ERWIN, SC ;

PEDERSON, MR .

PHYSICAL REVIEW LETTERS, 1991, 67 (12) :1610-1613

[2] THE SELF-INTERACTION-CORRECTED ELECTRONIC BAND-STRUCTURE OF 6 ALKALI FLUORIDE AND CHLORIDE CRYSTALS [J].

ERWIN, SC ;

LIN, CC .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (23) :4285-4309

[3] 1ST-PRINCIPLES, GENERAL-POTENTIAL LOCAL-ORBITAL CALCULATIONS FOR BULK CRYSTALS [J].

ERWIN, SC ;

PEDERSON, MR ;

PICKETT, WE .

PHYSICAL REVIEW B, 1990, 41 (15) :10437-10446

[4]

ERWIN SC, 1991, SCIENCE, V254, P892

[5]

ERWIN SC, UNPUB

[6]

ERWIN SC, 1991, PHYS REV LETT, V254, P892

[7] ELECTRICAL-RESISTIVITY AND STOICHIOMETRY OF BAXC60 FILMS [J].

HADDON, RC ;

KOCHANSKI, GP ;

HEBARD, AF ;

FIORY, AT ;

MORRIS, RC ;

PEREL, AS .

CHEMICAL PHYSICS LETTERS, 1993, 203 (04) :433-437

[8] SELF-INTERACTION CORRECTION FOR DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-ENERGY BANDS OF SOLIDS [J].

HEATON, RA ;

HARRISON, JG ;

LIN, CC .

PHYSICAL REVIEW B, 1983, 28 (10) :5992-6007

[9] SUPERCONDUCTIVITY AT 8.4-K IN CALCIUM-DOPED C-60 [J].

KORTAN, AR ;

KOPYLOV, N ;

GLARUM, S ;

GYORGY, EM ;

RAMIREZ, AP ;

FLEMING, RM ;

THIEL, FA ;

HADDON, RC .

NATURE, 1992, 355 (6360) :529-532

[10] SUPERCONDUCTIVITY IN BARIUM FULLERIDE [J].

KORTAN, AR ;

KOPYLOV, N ;

GLARUM, S ;

GYORGY, EM ;

RAMIREZ, AP ;

FLEMING, RM ;

ZHOU, O ;

THIEL, FA ;

TREVOR, PL ;

HADDON, RC .

NATURE, 1992, 360 (6404) :566-568

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