Calculations and analysis of energy gaps in YBa2Cu3O7 and YBa2Cu3O6

Xingguo Geng; Jinshan Li; Hengzhi Fu; Qian Liu; Kehe Su; Cuiping Zhang; Lian Zhou

Calculations and analysis of energy gaps in YBa₂Cu₃O₇ and YBa₂Cu₃O₆

Xingguo Geng, Jinshan Li, Hengzhi Fu, Qian Liu, Kehe Su, Cuiping Zhang, Lian Zhou

School of Materials Sience and Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The LUMO-HOMO energy gaps in YBa₂Cu₃O₇ have been calculated with density functional method (DFT) on a cluster model of unit cell in a wide range of temperatures (5 K~300 K). The results show that the superconducting energy gap (2Δ(T)) is about 80 meV at T_c (93 K), and decreases smoothly as the temperature increasing. It reaches the minimum at T_c and exhibits pseudogap above T_c. The pseudogap value reaches the maximum at T^*(120 K) when the temperature increasing. The calculations by the cluster model of YBa₂Cu₃O₆ unit cell show that the energy gap is about 10² meV with characteristic gap of semiconductor.

Original language	English
Pages (from-to)	921-924
Number of pages	4
Journal	Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
Volume	35
Issue number	6
State	Published - Jun 2006

Keywords

DFT
HTS
Pseudogap
Superconducting energy gap
YBaCuO

Cite this

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title = "Calculations and analysis of energy gaps in YBa2Cu3O7 and YBa2Cu3O6",

abstract = "The LUMO-HOMO energy gaps in YBa2Cu3O7 have been calculated with density functional method (DFT) on a cluster model of unit cell in a wide range of temperatures (5 K~300 K). The results show that the superconducting energy gap (2Δ(T)) is about 80 meV at Tc (93 K), and decreases smoothly as the temperature increasing. It reaches the minimum at Tc and exhibits pseudogap above Tc. The pseudogap value reaches the maximum at T*(120 K) when the temperature increasing. The calculations by the cluster model of YBa2Cu3O6 unit cell show that the energy gap is about 102 meV with characteristic gap of semiconductor.",

keywords = "DFT, HTS, Pseudogap, Superconducting energy gap, YBaCuO",

author = "Xingguo Geng and Jinshan Li and Hengzhi Fu and Qian Liu and Kehe Su and Cuiping Zhang and Lian Zhou",

year = "2006",

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pages = "921--924",

journal = "Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering",

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TY - JOUR

T1 - Calculations and analysis of energy gaps in YBa2Cu3O7 and YBa2Cu3O6

AU - Geng, Xingguo

AU - Li, Jinshan

AU - Fu, Hengzhi

AU - Liu, Qian

AU - Su, Kehe

AU - Zhang, Cuiping

AU - Zhou, Lian

PY - 2006/6

Y1 - 2006/6

N2 - The LUMO-HOMO energy gaps in YBa2Cu3O7 have been calculated with density functional method (DFT) on a cluster model of unit cell in a wide range of temperatures (5 K~300 K). The results show that the superconducting energy gap (2Δ(T)) is about 80 meV at Tc (93 K), and decreases smoothly as the temperature increasing. It reaches the minimum at Tc and exhibits pseudogap above Tc. The pseudogap value reaches the maximum at T*(120 K) when the temperature increasing. The calculations by the cluster model of YBa2Cu3O6 unit cell show that the energy gap is about 102 meV with characteristic gap of semiconductor.

AB - The LUMO-HOMO energy gaps in YBa2Cu3O7 have been calculated with density functional method (DFT) on a cluster model of unit cell in a wide range of temperatures (5 K~300 K). The results show that the superconducting energy gap (2Δ(T)) is about 80 meV at Tc (93 K), and decreases smoothly as the temperature increasing. It reaches the minimum at Tc and exhibits pseudogap above Tc. The pseudogap value reaches the maximum at T*(120 K) when the temperature increasing. The calculations by the cluster model of YBa2Cu3O6 unit cell show that the energy gap is about 102 meV with characteristic gap of semiconductor.

KW - DFT

KW - HTS

KW - Pseudogap

KW - Superconducting energy gap

KW - YBaCuO

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M3 - 文章

AN - SCOPUS:33746507505

SN - 1002-185X

VL - 35

SP - 921

EP - 924

JO - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

JF - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

IS - 6

ER -

Calculations and analysis of energy gaps in YBa₂Cu₃O₇ and YBa₂Cu₃O₆

Abstract

Keywords

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