Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi

Dong Kyun Seo, Jingqing Ren, Myung Hwan Whangbo, Enric Canadell

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Electrical properties of the intermetallic superconductors h-ZrRuP, o-ZrRuP, and h-ZrRuSi were examined by calculating their electronic structures on the basis of the extended Hückel tight-binding method. To a first approximation, the electronic structure of ZrRuP is well described in terms of the oxidation state Zr4+(RuP)4-. This picture provides simple explanations for why both h-ZrRuP and o-ZrRuP have low N(Ef) values and why h-ZrRuP has a nearly half-filled one-dimensional (1D) band dispersive along the c direction. A charge density wave instability associated with such a 1D band probably causes a c-axis doubling structural distortion in h-HfRuAs and h-TiRuAs. We discussed probable reasons for why the intermetallic phases with the c-axis doubling distortion are not superconductors and why h-ZrRuP has a higher Tc than does o-ZrRuP.

Original languageEnglish
Pages (from-to)6058-6063
Number of pages6
JournalInorganic Chemistry
Volume36
Issue number26
Publication statusPublished - 1997

Fingerprint

Electron transport properties
Band structure
Superconducting materials
Intermetallics
Electronic structure
intermetallics
transport properties
electronic structure
Charge density waves
electronics
Electric properties
electrical properties
Oxidation
oxidation
causes
approximation
Direction compound

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi. / Seo, Dong Kyun; Ren, Jingqing; Whangbo, Myung Hwan; Canadell, Enric.

In: Inorganic Chemistry, Vol. 36, No. 26, 1997, p. 6058-6063.

Research output: Contribution to journalArticle

Seo, Dong Kyun ; Ren, Jingqing ; Whangbo, Myung Hwan ; Canadell, Enric. / Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi. In: Inorganic Chemistry. 1997 ; Vol. 36, No. 26. pp. 6058-6063.
@article{ade84e8127ba49708cdc2a1d4f7535e8,
title = "Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi",
abstract = "Electrical properties of the intermetallic superconductors h-ZrRuP, o-ZrRuP, and h-ZrRuSi were examined by calculating their electronic structures on the basis of the extended H{\"u}ckel tight-binding method. To a first approximation, the electronic structure of ZrRuP is well described in terms of the oxidation state Zr4+(RuP)4-. This picture provides simple explanations for why both h-ZrRuP and o-ZrRuP have low N(Ef) values and why h-ZrRuP has a nearly half-filled one-dimensional (1D) band dispersive along the c direction. A charge density wave instability associated with such a 1D band probably causes a c-axis doubling structural distortion in h-HfRuAs and h-TiRuAs. We discussed probable reasons for why the intermetallic phases with the c-axis doubling distortion are not superconductors and why h-ZrRuP has a higher Tc than does o-ZrRuP.",
author = "Seo, {Dong Kyun} and Jingqing Ren and Whangbo, {Myung Hwan} and Enric Canadell",
year = "1997",
language = "English",
volume = "36",
pages = "6058--6063",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "26",

}

TY - JOUR

T1 - Electronic Band Structure Study of the Transport Properties of the Intermetallic Compounds ZrRuP and ZrRuSi

AU - Seo, Dong Kyun

AU - Ren, Jingqing

AU - Whangbo, Myung Hwan

AU - Canadell, Enric

PY - 1997

Y1 - 1997

N2 - Electrical properties of the intermetallic superconductors h-ZrRuP, o-ZrRuP, and h-ZrRuSi were examined by calculating their electronic structures on the basis of the extended Hückel tight-binding method. To a first approximation, the electronic structure of ZrRuP is well described in terms of the oxidation state Zr4+(RuP)4-. This picture provides simple explanations for why both h-ZrRuP and o-ZrRuP have low N(Ef) values and why h-ZrRuP has a nearly half-filled one-dimensional (1D) band dispersive along the c direction. A charge density wave instability associated with such a 1D band probably causes a c-axis doubling structural distortion in h-HfRuAs and h-TiRuAs. We discussed probable reasons for why the intermetallic phases with the c-axis doubling distortion are not superconductors and why h-ZrRuP has a higher Tc than does o-ZrRuP.

AB - Electrical properties of the intermetallic superconductors h-ZrRuP, o-ZrRuP, and h-ZrRuSi were examined by calculating their electronic structures on the basis of the extended Hückel tight-binding method. To a first approximation, the electronic structure of ZrRuP is well described in terms of the oxidation state Zr4+(RuP)4-. This picture provides simple explanations for why both h-ZrRuP and o-ZrRuP have low N(Ef) values and why h-ZrRuP has a nearly half-filled one-dimensional (1D) band dispersive along the c direction. A charge density wave instability associated with such a 1D band probably causes a c-axis doubling structural distortion in h-HfRuAs and h-TiRuAs. We discussed probable reasons for why the intermetallic phases with the c-axis doubling distortion are not superconductors and why h-ZrRuP has a higher Tc than does o-ZrRuP.

UR - http://www.scopus.com/inward/record.url?scp=0001400283&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001400283&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0001400283

VL - 36

SP - 6058

EP - 6063

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 26

ER -