COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7

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Using the base "Augmented Spherical Waves (ASW)" the quantities are calculated and discuss "Orbital Crystal Overlap Population (COOP)" and "Orbital Crystal Hamiltonian Population (COHP)" that give information about the formation of states bonding and antibond1ng and con...

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Detalles Bibliográficos
Autores: Flores R., Luis, Nowak, Hans
Formato: artículo
Fecha de Publicación:2007
Institución:Universidad Nacional Mayor de San Marcos
Repositorio:Revistas - Universidad Nacional Mayor de San Marcos
Lenguaje:español
OAI Identifier:oai:ojs.csi.unmsm:article/4213
Enlace del recurso:https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213
Nivel de acceso:acceso abierto
Materia:Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
phase transition
superconductivity.
transición de fase
superconductividad.
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network_acronym_str REVUNMSM
network_name_str Revistas - Universidad Nacional Mayor de San Marcos
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spelling COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7COOP Y COHP ENLAZANTE-ANTIENLAZANTE EN EL PLANO SUPERCONDUCTOR YBa2Cu3O7Flores R., LuisNowak, HansY123YBaCuOLMTOASWELFCOOPCOHPphase transitionsuperconductivity.Y123YBaCuOLMTOASWELFCOOPCOHPtransición de fasesuperconductividad.Using the base "Augmented Spherical Waves (ASW)" the quantities are calculated and discuss "Orbital Crystal Overlap Population (COOP)" and "Orbital Crystal Hamiltonian Population (COHP)" that give information about the formation of states bonding and antibond1ng and consequently on the stability in the system YBa2Cu3O7. The calculation realizes in the reg1on of the crystalline cell that it shows superconductivity. There is demonstrated that in the region is highly unstable in the state not superconductor with a great quantity of states antibonding lor below and in the energy of Fermi E(F). This situation can induce a transit1on of local phase to the state superconductor.Usando la base "Augmented Spherical Waves (ASW)" se calcula y discute las cantidades "Cristal Orbital Overtap Population (COOP)" y "Cristal Orbital Hamiltonian Population (COHP)" que dan información sobre la formación de estados enlazante y antienlazante y por consiguiente sobre la estabilidad en el sistema YBa2Cu3O7. El cálculo se realiza en la región de la celda cristalina que muestra superconductividad. Se demuestra que en la región es altamente inestable en el estado no superconductor con una gran cantidad de estados antienlazante por debajo y en la energía de Fermi E(F). Esta situación puede inducir una transición de fase local al estado superconductor.Universidad Nacional Mayor de San Marcos2007-12-31info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213Revista Peruana de Química e Ingeniería Química; Vol. 10 No. 2 (2007); 22-30Revista Peruana de Química e Ingeniería Química; Vol. 10 Núm. 2 (2007); 22-301609-75991726-2208reponame:Revistas - Universidad Nacional Mayor de San Marcosinstname:Universidad Nacional Mayor de San Marcosinstacron:UNMSMspahttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213/3367Derechos de autor 2007 Luis Flores R., Hans Nowakhttps://creativecommons.org/licenses/by-nc-sa/4.0info:eu-repo/semantics/openAccessoai:ojs.csi.unmsm:article/42132020-05-10T21:48:30Z
dc.title.none.fl_str_mv COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
COOP Y COHP ENLAZANTE-ANTIENLAZANTE EN EL PLANO SUPERCONDUCTOR YBa2Cu3O7
title COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
spellingShingle COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
Flores R., Luis
Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
phase transition
superconductivity.
Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
transición de fase
superconductividad.
title_short COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
title_full COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
title_fullStr COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
title_full_unstemmed COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
title_sort COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
dc.creator.none.fl_str_mv Flores R., Luis
Nowak, Hans
author Flores R., Luis
author_facet Flores R., Luis
Nowak, Hans
author_role author
author2 Nowak, Hans
author2_role author
dc.subject.none.fl_str_mv Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
phase transition
superconductivity.
Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
transición de fase
superconductividad.
topic Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
phase transition
superconductivity.
Y123
YBaCuO
LMTO
ASW
ELF
COOP
COHP
transición de fase
superconductividad.
description Using the base "Augmented Spherical Waves (ASW)" the quantities are calculated and discuss "Orbital Crystal Overlap Population (COOP)" and "Orbital Crystal Hamiltonian Population (COHP)" that give information about the formation of states bonding and antibond1ng and consequently on the stability in the system YBa2Cu3O7. The calculation realizes in the reg1on of the crystalline cell that it shows superconductivity. There is demonstrated that in the region is highly unstable in the state not superconductor with a great quantity of states antibonding lor below and in the energy of Fermi E(F). This situation can induce a transit1on of local phase to the state superconductor.
publishDate 2007
dc.date.none.fl_str_mv 2007-12-31
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213
url https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213
dc.language.none.fl_str_mv spa
language spa
dc.relation.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4213/3367
dc.rights.none.fl_str_mv Derechos de autor 2007 Luis Flores R., Hans Nowak
https://creativecommons.org/licenses/by-nc-sa/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Derechos de autor 2007 Luis Flores R., Hans Nowak
https://creativecommons.org/licenses/by-nc-sa/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
dc.source.none.fl_str_mv Revista Peruana de Química e Ingeniería Química; Vol. 10 No. 2 (2007); 22-30
Revista Peruana de Química e Ingeniería Química; Vol. 10 Núm. 2 (2007); 22-30
1609-7599
1726-2208
reponame:Revistas - Universidad Nacional Mayor de San Marcos
instname:Universidad Nacional Mayor de San Marcos
instacron:UNMSM
instname_str Universidad Nacional Mayor de San Marcos
instacron_str UNMSM
institution UNMSM
reponame_str Revistas - Universidad Nacional Mayor de San Marcos
collection Revistas - Universidad Nacional Mayor de San Marcos
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1795238290697224192
score 13.974264
COOP AND COHP BONDING-ANTIBONDING IN THE PLANE SUPERCONDUCTING YBa2Cu3O7
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