TUNING OF THE CHARGE-DENSITY-WAVE IN THE HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPOUNDS

被引：32

作者：

ALOUANI, M ^{[1
]}

WILKINS, JW ^{[1
]}

ALBERS, RC ^{[1
]}

WILLS, JM ^{[1
]}

机构：

[1] LOS ALAMOS NATL LAB,LOS ALAMOS,NM 87545

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.71.1415

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Local-density-approximation calculations are used to show that the metal-metal distance along the chains controls the charge-density wave (CDW) in halogen-bridged transition-metal linear-chain compounds. The strength of the CDW can be understood in terms of a two-band Su-Schrieffer-Heeger model if a hard-core ion-ion repulsion potential is also added. We predict a second-order phase transition from an insulating to a semimetallic ground state and explain trends in dimerization, bond-length ratios, band gaps, and Raman breathing modes in terms of the metal-metal distance.

引用

页码：1415 / 1418

页数：4

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