Tight-binding band calculations on electronic structure and properties of F-substituted YBCO

Kee Hag Lee; Seong Soo Park; Chan Gyun Jo; Wang Ro Lee; Han Myoung Lee; U. Sung Choi

doi:10.1016/0038-1098(96)00085-3

Tight-binding band calculations on electronic structure and properties of F-substituted YBCO

Kee Hag Lee^*
, Seong Soo Park
, Chan Gyun Jo
, Wang Ro Lee
, Han Myoung Lee
, U. Sung Choi

^*Corresponding author for this work

Office of Educational Innovation

Wonkwang University

Research output: Contribution to journal › Journal article › peer-review

2 Scopus citations

Abstract

By using the extended Hückel tight-binding calculations we have studied the 17 clusters model corresponding to one and two F-substituted YBCO. A comparison with the recent experimental results suggests that substitutions of two fluorine atoms into O(2) and O(3) sites in the same CuO₂ layer are found to be possible, and also that not only O(1) sites but also O(4) sites in CuO chains may be substituted by fluorine.

Original language	English
Pages (from-to)	365-370
Number of pages	6
Journal	Solid State Communications
Volume	100
Issue number	5
DOIs	https://doi.org/10.1016/0038-1098(96)00085-3
State	Published - 1996.11

Keywords

A. high-T
C. point defects
D. electronic band structure
D. electronic states (localized)
Superconductor

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10.1016/0038-1098(96)00085-3

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@article{5ef2d1d8abb842c8a314454663c798bf,

title = "Tight-binding band calculations on electronic structure and properties of F-substituted YBCO",

abstract = "By using the extended H{\"u}ckel tight-binding calculations we have studied the 17 clusters model corresponding to one and two F-substituted YBCO. A comparison with the recent experimental results suggests that substitutions of two fluorine atoms into O(2) and O(3) sites in the same CuO2 layer are found to be possible, and also that not only O(1) sites but also O(4) sites in CuO chains may be substituted by fluorine.",

keywords = "A. high-T, C. point defects, D. electronic band structure, D. electronic states (localized), Superconductor",

author = "Lee, \{Kee Hag\} and Park, \{Seong Soo\} and Jo, \{Chan Gyun\} and Lee, \{Wang Ro\} and Lee, \{Han Myoung\} and Choi, \{U. Sung\}",

year = "1996",

month = nov,

doi = "10.1016/0038-1098(96)00085-3",

language = "English",

volume = "100",

pages = "365--370",

journal = "Solid State Communications",

issn = "0038-1098",

number = "5",

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TY - JOUR

T1 - Tight-binding band calculations on electronic structure and properties of F-substituted YBCO

AU - Lee, Kee Hag

AU - Park, Seong Soo

AU - Jo, Chan Gyun

AU - Lee, Wang Ro

AU - Lee, Han Myoung

AU - Choi, U. Sung

PY - 1996/11

Y1 - 1996/11

N2 - By using the extended Hückel tight-binding calculations we have studied the 17 clusters model corresponding to one and two F-substituted YBCO. A comparison with the recent experimental results suggests that substitutions of two fluorine atoms into O(2) and O(3) sites in the same CuO2 layer are found to be possible, and also that not only O(1) sites but also O(4) sites in CuO chains may be substituted by fluorine.

AB - By using the extended Hückel tight-binding calculations we have studied the 17 clusters model corresponding to one and two F-substituted YBCO. A comparison with the recent experimental results suggests that substitutions of two fluorine atoms into O(2) and O(3) sites in the same CuO2 layer are found to be possible, and also that not only O(1) sites but also O(4) sites in CuO chains may be substituted by fluorine.

KW - A. high-T

KW - C. point defects

KW - D. electronic band structure

KW - D. electronic states (localized)

KW - Superconductor

UR - https://www.scopus.com/pages/publications/0030282213

U2 - 10.1016/0038-1098(96)00085-3

DO - 10.1016/0038-1098(96)00085-3

M3 - Journal article

AN - SCOPUS:0030282213

SN - 0038-1098

VL - 100

SP - 365

EP - 370

JO - Solid State Communications

JF - Solid State Communications

IS - 5

ER -

Tight-binding band calculations on electronic structure and properties of F-substituted YBCO

Abstract

Keywords

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