First-principles calculation of energy-gap and low-temperature physical character in YBa2Cu3O7

Jianhua Wu; Xingguo Geng; Jinshan Li; Hengzhi Fu; Lian Zhou

First-principles calculation of energy-gap and low-temperature physical character in YBa₂Cu₃O₇

Jianhua Wu, Xingguo Geng, Jinshan Li, Hengzhi Fu, Lian Zhou

School of Materials Sience and Engineering

Northwestern Polytechnical University Xian

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

Abstract

The energy gap, susceptibility, electronic specific heat and its coefficient in YBa₂Cu₃O₇ have been calculated with BLYP and ROBLYP exchange-correlation function in density functional theory on a cluster model of unit cell of 39 atoms. The 3 dimension figures of HOMO at different temperature have been calculated with Gauss-View. The results show that there are 3 characteristic temperature: T_c, T* and T⁰ in YBa₂Cu₃O₇. Pseudogap has been found in the normal state. Superconducting energy gap and pseudogap are d-wave symmetry.

Original language	English
Pages (from-to)	2084-2088
Number of pages	5
Journal	Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
Volume	37
Issue number	12
State	Published - Dec 2008

Keywords

Density function
Electronic specific heat
Electronic specific heat coefficient
Energy gap
Susceptibility
YBa CuO

Cite this

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title = "First-principles calculation of energy-gap and low-temperature physical character in YBa2Cu3O7",

abstract = "The energy gap, susceptibility, electronic specific heat and its coefficient in YBa2Cu3O7 have been calculated with BLYP and ROBLYP exchange-correlation function in density functional theory on a cluster model of unit cell of 39 atoms. The 3 dimension figures of HOMO at different temperature have been calculated with Gauss-View. The results show that there are 3 characteristic temperature: Tc, T* and T0 in YBa2Cu3O7. Pseudogap has been found in the normal state. Superconducting energy gap and pseudogap are d-wave symmetry.",

keywords = "Density function, Electronic specific heat, Electronic specific heat coefficient, Energy gap, Susceptibility, YBa CuO",

author = "Jianhua Wu and Xingguo Geng and Jinshan Li and Hengzhi Fu and Lian Zhou",

year = "2008",

month = dec,

language = "英语",

volume = "37",

pages = "2084--2088",

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

issn = "1002-185X",

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TY - JOUR

T1 - First-principles calculation of energy-gap and low-temperature physical character in YBa2Cu3O7

AU - Wu, Jianhua

AU - Geng, Xingguo

AU - Li, Jinshan

AU - Fu, Hengzhi

AU - Zhou, Lian

PY - 2008/12

Y1 - 2008/12

N2 - The energy gap, susceptibility, electronic specific heat and its coefficient in YBa2Cu3O7 have been calculated with BLYP and ROBLYP exchange-correlation function in density functional theory on a cluster model of unit cell of 39 atoms. The 3 dimension figures of HOMO at different temperature have been calculated with Gauss-View. The results show that there are 3 characteristic temperature: Tc, T* and T0 in YBa2Cu3O7. Pseudogap has been found in the normal state. Superconducting energy gap and pseudogap are d-wave symmetry.

AB - The energy gap, susceptibility, electronic specific heat and its coefficient in YBa2Cu3O7 have been calculated with BLYP and ROBLYP exchange-correlation function in density functional theory on a cluster model of unit cell of 39 atoms. The 3 dimension figures of HOMO at different temperature have been calculated with Gauss-View. The results show that there are 3 characteristic temperature: Tc, T* and T0 in YBa2Cu3O7. Pseudogap has been found in the normal state. Superconducting energy gap and pseudogap are d-wave symmetry.

KW - Density function

KW - Electronic specific heat

KW - Electronic specific heat coefficient

KW - Energy gap

KW - Susceptibility

KW - YBa CuO

UR - http://www.scopus.com/inward/record.url?scp=59549093911&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:59549093911

SN - 1002-185X

VL - 37

SP - 2084

EP - 2088

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

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

IS - 12

ER -

First-principles calculation of energy-gap and low-temperature physical character in YBa₂Cu₃O₇

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Keywords

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