Role of alkali atoms in A4C60

被引：27

作者：

Gunnarsson, O ^{[1
]}

Erwin, SC

Koch, E

Martin, RM

机构：

[1] Max Planck Inst Festkorperforsch, D-70506 Stuttgart, Germany

[2] USN, Res Lab, Complex Syst Theory Branch, Washington, DC 20375 USA

[3] Univ Illinois, Dept Phys, Urbana, IL 61801 USA

来源：

PHYSICAL REVIEW B | 1998年 / 57卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.57.2159

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show that hopping via alkali atoms plays an important role for the t(1u) band of A(4)C(60) (A = K, Rb), in strong contrast to A(3)C(60) Thus the t(1u) band is broadened by more than 40% by the presence of the alkali atoms. The difference between A(4)C(60) and A(3)C(60) is in particular due to the less symmetric location of the alkali atoms in A(4)C(60). We present tight-binding and ab initio band-structure calculations to support our conclusions.

引用

页码：2159 / 2162

页数：4

共 23 条

[1] ELECTRON-VIBRON INTERACTIONS IN CHARGED FULLERENES .1. BERRY PHASES [J].

AUERBACH, A ;

MANINI, N ;

TOSATTI, E .

PHYSICAL REVIEW B, 1994, 49 (18) :12998-13007

[2] ELECTRONIC-PROPERTIES OF K-DOPED C(60) (111) - PHOTOEMISSION AND ELECTRON CORRELATION [J].

BENNING, PJ ;

STEPNIAK, F ;

POIRIER, DM ;

MARTINS, JL ;

WEAVER, JH ;

CHIBANTE, LPF ;

SMALLEY, RE .

PHYSICAL REVIEW B, 1993, 47 (20) :13843-13847

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

ERWIN, SC ;

PICKETT, WE .

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

[4] DO THE A4C60 FULLERIDES HAVE A BROKEN-SYMMETRY GROUND-STATE [J].

ERWIN, SC ;

BRUDER, C .

PHYSICA B, 1994, 199 :600-603

[5] 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

[6] TIGHT-BINDING PARAMETRIZATION OF 1ST-PRINCIPLES ELECTRONIC DISPERSION IN ORIENTATIONALLY DISORDERED ALPHA(3)C60 [J].

ERWIN, SC ;

MELE, EJ .

PHYSICAL REVIEW B, 1994, 50 (08) :5689-5692

[7]

ERWIN SC, 1993, BUCKMINSTERFULLERENE, P217

[8] ORIENTATION OF C60 CLUSTERS IN SOLIDS [J].

GUNNARSSON, O ;

SATPATHY, S ;

JEPSEN, O ;

ANDERSEN, OK .

PHYSICAL REVIEW LETTERS, 1991, 67 (21) :3002-3005

[9] Mott-Hubbard insulators for systems with orbital degeneracy [J].

Gunnarsson, O ;

Koch, E ;

Martin, RM .

PHYSICAL REVIEW B, 1997, 56 (03) :1146-1152

[10] Superconductivity in fullerides [J].

Gunnarsson, O .

REVIEWS OF MODERN PHYSICS, 1997, 69 (02) :575-606

← 1 2 3 →