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
收藏
页码：1415 / 1418
页数：4
相关论文
共 50 条
  • [1] TUNING OF THE CHARGE-DENSITY-WAVE IN THE HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPOUNDS (VOL 71, PG 1415, 1993)
    ALOUANI, M
    WILKINS, JW
    ALBERS, RC
    WILLS, JM
    [J]. PHYSICAL REVIEW LETTERS, 1994, 72 (26) : 4156 - 4156
  • [2] A 2 BAND MODEL FOR HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPLEXES
    BISHOP, AR
    GAMMEL, JT
    LOH, EY
    PHILLPOT, SR
    WEBERMILBRODT, SM
    [J]. INTERACTING ELECTRONS IN REDUCED DIMENSIONS, 1989, 213 : 267 - 272
  • [3] CORRELATIONS IN A 2 BAND MODEL OF HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPLEXES
    GAMMEL, JT
    WEBERMILBRODT, SM
    LOH, EY
    BISHOP, AR
    [J]. SYNTHETIC METALS, 1989, 29 (2-3) : F161 - F167
  • [4] EFFECTS OF QUANTUM-LATTICE FLUCTUATIONS ON THE CHARGE-DENSITY-WAVE OF HALOGEN-BRIDGED MIXED-VALENCE TRANSITION-METAL LINEAR COMPLEXES
    HUANG, QF
    WU, CQ
    SUN, X
    [J]. PHYSICAL REVIEW B, 1995, 52 (08): : 5637 - 5642
  • [5] SPECTRAL SIGNATURES FOR DEFECT STATES IN THE HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPLEX, PTBR
    WORL, LA
    DONOHOE, RJ
    HUCKETT, SC
    BULOU, A
    SWANSON, BI
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1990, 200 : 232 - INOR
  • [6] GROUND AND DEFECT STATES IN A 2 BAND MODEL OF HALOGEN-BRIDGED TRANSITION-METAL LINEAR-CHAIN COMPLEXES
    BISHOP, AR
    GAMMEL, JT
    PHILLPOT, SR
    [J]. SYNTHETIC METALS, 1989, 29 (2-3) : F151 - F159
  • [7] PRESSURE TUNING OF THE CHARGE-DENSITY-WAVE IN THE HALOGEN-BRIDGED TRANSITION-METAL SOLID PT2BR6(NH3)(4)
    KANNER, GS
    GAMMEL, JT
    LOVE, SP
    JOHNSON, SR
    SCOTT, B
    SWANSON, BI
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 18682 - 18685
  • [8] LDA modeling of the electronic structure of the halogen-bridged transition-metal chain compounds
    Alouani, M
    Albers, RC
    Wills, JM
    Wilkins, JW
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 1998, 10 (1-4) : 381 - 387
  • [9] Excitation-Photon-Energy Selectivity of Photoconversions in Halogen-Bridged Pd-Chain Compounds: Mott Insulator to Metal or Charge-Density-Wave State
    Matsuzaki, H.
    Iwata, M.
    Miyamoto, T.
    Terashige, T.
    Iwano, K.
    Takaishi, S.
    Takamura, M.
    Kumagai, S.
    Yamashita, M.
    Takahashi, R.
    Wakabayashi, Y.
    Okamoto, H.
    [J]. PHYSICAL REVIEW LETTERS, 2014, 113 (09)
  • [10] EFFECTS OF ELECTRON CORRELATION ON THE BAND-GAP OF A CHAIN OF HALOGEN-BRIDGED TRANSITION-METAL COMPOUNDS
    YU, ZG
    SUN, X
    ZHU, JH
    SHEN, XC
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 18633 - 18636
12345