Ab-Initio Study on Plutonium Compounds Pu3M (M=Al, Ga, In), PuNp and Elemental Neptunium

PDF Version Also Available for Download.

Description

Using spin-polarized relativistic density functional theory the electronic and magnetic structures for the plutonium compounds Pu{sub 3}M(M = Al; Ga; In) and PuNp have been investigated. For the first group of compounds the enhanced hybridization between Pu 5f and p-states of alloying element, as it has been found in spin-polarized calculations, is believed to be the main reason for the higher formation energies obtained in such kind of studies in comparison with the non-spin-polarized case. Also, comparative analysis of the actinides U, Np, Pu, Am, and Cm has been performed based on their electronic and magnetic structure. Some noticeable difference ... continued below

Physical Description

PDF-file: 30 pages; size: 3.1 Mbytes

Creation Information

Kutepov, A L September 7, 2005.

Context

This report is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this report can be viewed below.

Who

People and organizations associated with either the creation of this report or its content.

Author

Publisher

Provided By

UNT Libraries Government Documents Department

Serving as both a federal and a state depository library, the UNT Libraries Government Documents Department maintains millions of items in a variety of formats. The department is a member of the FDLP Content Partnerships Program and an Affiliated Archive of the National Archives.

Contact Us

What

Descriptive information to help identify this report. Follow the links below to find similar items on the Digital Library.

Description

Using spin-polarized relativistic density functional theory the electronic and magnetic structures for the plutonium compounds Pu{sub 3}M(M = Al; Ga; In) and PuNp have been investigated. For the first group of compounds the enhanced hybridization between Pu 5f and p-states of alloying element, as it has been found in spin-polarized calculations, is believed to be the main reason for the higher formation energies obtained in such kind of studies in comparison with the non-spin-polarized case. Also, comparative analysis of the actinides U, Np, Pu, Am, and Cm has been performed based on their electronic and magnetic structure. Some noticeable difference in the calculated magnetic structure was discovered between the actinide with local magnetic moments (Cm) and the actinides (Pu, Am) in which magnetic moments were found only in the calculations.

Physical Description

PDF-file: 30 pages; size: 3.1 Mbytes

Language

Item Type

Identifier

Unique identifying numbers for this report in the Digital Library or other systems.

  • Report No.: UCRL-TR-215882
  • Grant Number: W-7405-ENG-48
  • DOI: 10.2172/928154 | External Link
  • Office of Scientific & Technical Information Report Number: 928154
  • Archival Resource Key: ark:/67531/metadc896220

Collections

This report is part of the following collection of related materials.

Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

What responsibilities do I have when using this report?

When

Dates and time periods associated with this report.

Creation Date

  • September 7, 2005

Added to The UNT Digital Library

  • Sept. 27, 2016, 1:39 a.m.

Description Last Updated

  • Nov. 22, 2016, 2:21 p.m.

Usage Statistics

When was this report last used?

Yesterday: 0
Past 30 days: 1
Total Uses: 7

Interact With This Report

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Kutepov, A L. Ab-Initio Study on Plutonium Compounds Pu3M (M=Al, Ga, In), PuNp and Elemental Neptunium, report, September 7, 2005; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc896220/: accessed October 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.