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Cluster calculations of the electron...

Wang, Yu-Juin,

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Cluster calculations of the electronic structure of copper oxide superconductors /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Cluster calculations of the electronic structure of copper oxide superconductors // Yu-Juin Wang.
Author:	Wang, Yu-Juin,
Description:	1 electronic resource (156 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 53-03, Section: B.
Contained By:	Dissertations Abstracts International53-03B.
Subject:	Condensation. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=9127570
ISBN:	9798207929224

Cluster calculations of the electronic structure of copper oxide superconductors /
Wang, Yu-Juin,

Cluster calculations of the electronic structure of copper oxide superconductors /Yu-Juin Wang. - 1 electronic resource (156 pages)

Source: Dissertations Abstracts International, Volume: 53-03, Section: B.

A semiempirical INDO model suitable for the examination of the transition metal complexes is used to study the electronic structure of various clusters representing the La - Sr - Cu - O and Nd - Ce - Cu - O types of the high-$T\\sb{c}$ superconductors. The clusters are stabilized by embedding in an appropriate Madelung field. The results show a convergent picture independent of the cluster sizes. In the undoped clusters, all copper sites have a $\\sim{d}\\sp9$ configuration with one unpaired spin coupled antiferromagnetically to the spin of adjacent Cu sites. Fitting the resulting energies to the Heisenberg spin Hamiltonian, we obtained the superexchange J values in excellent agreement with experiments. The hole carriers are mainly of planar O character, while the electron carriers are of Cu character.

English

ISBN: 9798207929224Subjects--Topical Terms:

942542
Condensation.
Subjects--Index Terms:

quantum chemistry

Cluster calculations of the electronic structure of copper oxide superconductors /
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020 $a 9798207929224
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100 1 $a Wang, Yu-Juin, $e author. $3 3819134
245 1 0 $a Cluster calculations of the electronic structure of copper oxide superconductors / $c Yu-Juin Wang.
264 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 1990
300 $a 1 electronic resource (156 pages)
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
500 $a Source: Dissertations Abstracts International, Volume: 53-03, Section: B.
500 $a Publisher info.: Dissertation/Thesis.
502 $b Ph.D. $c State University of New York at Stony Brook $d 1990.
520 $a A semiempirical INDO model suitable for the examination of the transition metal complexes is used to study the electronic structure of various clusters representing the La - Sr - Cu - O and Nd - Ce - Cu - O types of the high-$T\\sb{c}$ superconductors. The clusters are stabilized by embedding in an appropriate Madelung field. The results show a convergent picture independent of the cluster sizes. In the undoped clusters, all copper sites have a $\\sim{d}\\sp9$ configuration with one unpaired spin coupled antiferromagnetically to the spin of adjacent Cu sites. Fitting the resulting energies to the Heisenberg spin Hamiltonian, we obtained the superexchange J values in excellent agreement with experiments. The hole carriers are mainly of planar O character, while the electron carriers are of Cu character.
546 $a English
590 $a School code: 0771
650 4 $a Condensation. $3 942542
650 4 $a Chemistry. $3 516420
650 4 $a Condensed matter physics. $3 3173567
650 4 $a Physical chemistry. $3 1981412
653 $a quantum chemistry
690 $a 0611
690 $a 0494
690 $a 0485
710 2 $a State University of New York at Stony Brook. $e degree granting institution. $3 3767705
773 0 $t Dissertations Abstracts International $g 53-03B.
790 $a 0771
791 $a Ph.D.
792 $a 1990
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=9127570