The structure and energies of peroxy bipolarons in La2CuO4

被引：33

作者：

Catlow, CRA

Islam, MS

Zhang, X

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1X 4BS, England

[2] Univ Surrey, Dept Chem, Surrey GU2 5XH, England

[3] Natl Univ Singapore, Dept Phys, Singapore 117548, Singapore

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 03期

关键词：

D O I：

10.1088/0953-8984/10/3/001

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present calculations of the binding energies of peroxy (O-2(2-)) bipolarons in La2CuO4. Our results strongly suggest that these species are weakly bound with respect to isolated hole species. Estimates of the effective mass of the bipolaronic species based on our calculated relaxed geometries are consistent with experimental observation for the superconducting state of the material.

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收藏

页码：L49 / L54

页数：6

相关论文

共 35 条

[1] Bipolaron anisotropic flat bands, Hall mobility edge, and metal-semiconductor duality of overdoped high-T-c oxides [J].

Alexandrov, AS .

PHYSICAL REVIEW B, 1996, 53 (05) :2863-2869

[2] BIPOLARONS [J].

ALEXANDROV, AS ;

MOTT, NF .

REPORTS ON PROGRESS IN PHYSICS, 1994, 57 (12) :1197-1288

[3] LATTICE AND SPIN BIPOLARONS IN METAL-OXIDES AND DOPED FULLERENES [J].

ALEXANDROV, AS ;

MOTT, NF .

JOURNAL OF SUPERCONDUCTIVITY, 1994, 7 (03) :599-605

[4] STRUCTURAL AND DEFECT PROPERTIES OF HIGH-T(C) OXIDES DETERMINED BY ATOMISTIC LATTICE SIMULATION [J].

ALLAN, NL ;

BARAM, PS ;

GORMEZANO, A ;

MACKRODT, WC .

JOURNAL OF MATERIALS CHEMISTRY, 1994, 4 (06) :817-824

[5]

ALLAN NL, 1993, ADV SOLID STATE CHEM, V3

[6] COMPUTATIONAL STUDY OF HOLE SPECIES IN MODELS OF THE CUPRATE SUPERCONDUCTORS [J].

BAETZOLD, RC ;

GRIMES, R ;

CATLOW, CRA .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1993, 54 (07) :793-800

[7] VIBRATIONAL ANOMALIES IN THE SUPERCONDUCTING COMPOUND LA1.85BA0.15CUO4 [J].

BALAKRISHNAN, G ;

BERNHOEFT, NR ;

BOWDEN, ZA ;

PAUL, DM ;

TAYLOR, AD .

NATURE, 1987, 327 (6117) :45-47

[8] VARIATIONAL CALCULATIONS OF BIPOLARON BINDING-ENERGIES [J].

BASSANI, F ;

GEDDO, M ;

IADONISI, G ;

NINNO, D .

PHYSICAL REVIEW B, 1991, 43 (07) :5296-5306

[9] PHONON-DISPERSION CURVES FOR LA1.85SR0.15CUO4 [J].

BRUN, T ;

GRIMSDITCH, M ;

GRAY, KE ;

BHADRA, R ;

MARONI, V ;

LOONG, CK .

PHYSICAL REVIEW B, 1987, 35 (16) :8837-8839

[10] CORRELATED ELECTRONS IN HIGH-TEMPERATURE SUPERCONDUCTORS [J].

DAGOTTO, E .

REVIEWS OF MODERN PHYSICS, 1994, 66 (03) :763-840

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