Published 2007 | Version v1
Miscellaneous Metadata-only

Effect of chains on the electronic structures of Pr 124 and Pr 123 systems, based on LSDA+U approach

Creators

  • 1. Sharif University of Technology, Department of Physics, Magnet Research Lab, Tehran (Iran, Islamic Republic of)

Description

Ab initio full potential local density calculations plus correlation correction on d and f orbitals of Cu and Pr ions have been performed for PrBa2Cu4O8 (Pr 124) and PrBa2Cu3O7 (Pr 123) systems. Electronic structures of these systems have been compared with each other. Characterization of Pr 124 band structure confirms the formation of pfσ band at the Fermi level which is very similar to that in Pr 123 causing non-superconductivity for this system. The chain-band characterization in Pr 123 and Pr 124 is different because of the double chain in Pr 124. Double chains in RE 124 systems show conductivity stronger than in the single-chain RE 123 systems.

Availability note (English)

Available from Atomic Energy Organization of Iran

Additional details

Additional titles

Original title (Persian)
Asare zanjireha dar sakhtare elektroni sistemha-ye Pr123 va Pr124 bar asase rahyafte LSDA+U

Publishing Information

Publisher
The Physical Society of Iran
Imprint Place
Tehran, On (Iran, Islamic Republic of)
Imprint Pagination
[3 p.]

Conference

Title
The Annual Physics Conference of Iran
Original Conference Title
Konferanse Phizike Iran
Dates
27-30 Aug 2007
Place
Yasuj (Iran, Islamic Republic of)

INIS

Country of Publication
Iran, Islamic Republic of
Country of Input or Organization
Iran, Islamic Republic of
INIS RN
41122871
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference, Non-conventional Literature
Descriptors DEI
BAND THEORY; COPPER; CORRECTIONS; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; ELECTRON CORRELATION; ELECTRON DENSITY; ELECTRONIC STRUCTURE; FERMI LEVEL; L-S COUPLING; MOLECULAR ORBITAL METHOD; PRASEODYMIUM IONS; SPIN; SUPERCONDUCTIVITY
Descriptors DEC
ANGULAR MOMENTUM; CALCULATION METHODS; CHARGED PARTICLES; CORRELATIONS; COUPLING; ELECTRIC CONDUCTIVITY; ELECTRICAL PROPERTIES; ELEMENTS; ENERGY LEVELS; INTERMEDIATE COUPLING; IONS; METALS; PARTICLE PROPERTIES; PHYSICAL PROPERTIES; TRANSITION ELEMENTS; VARIATIONAL METHODS