• Login
    View Item 
    •   Home
    • Theses & Dissertations
    • 2013 - Mines Theses & Dissertations
    • View Item
    •   Home
    • Theses & Dissertations
    • 2013 - Mines Theses & Dissertations
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of Mines RepositoryCommunitiesPublication DateAuthorsTitlesSubjectsThis CollectionPublication DateAuthorsTitlesSubjects

    My Account

    Login

    Mines Links

    Arthur Lakes LibraryColorado School of Mines

    Statistics

    Display Statistics

    Mechanism behind the calcium aluminum silicide ternary structural preference and the origin of its semimetal behavior, The

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Thumbnail
    Name:
    Semi_mines_0052E_10301.pdf
    Size:
    10.45Mb
    Format:
    PDF
    Description:
    The mechanism behind the calcium ...
    Download
    Author
    Semi, Torey Elizabeth
    Advisor
    Wood, David M.
    Date issued
    2013
    Keywords
    electronegativity
    CaAl2Si2
    structural
    semimetal
    properties
    interstitial
    Zintl compounds
    Feldspar
    Organometallic compounds
    Thermoelectric materials
    
    Metadata
    Show full item record
    URI
    https://hdl.handle.net/11124/79571
    Abstract
    CaAl2Si2 is the prototype of the CaAl2Si2 class of Zintl structures established to be useful as thermoelectrics. We propose that CaAl2Si2 be interpreted as an ordinary covalently bonded,tetrahedrally coordinated quasi-semiconductor consisting of a large distortion of the wurtzite structure with the almost fully ionized Ca inserted at an interstitial site. We support this interpretation via a structural mapping and calculations for both a charged binary primitive cell and a Si4 primitive cell. Our intent is to explain the unusual structure of the CaAl2Si2 class of semiconductors, the origin of its semimetallic behavior, the basis for its stability and the effect of substituting other column II atoms for Ca on these properties. To be clear, this work does not examine the nature of the true band gap, or the transport coefficients of CaAl2Si2. GW corrections are not discussed, in view of the focus on the origins of stability of this peculiar structure.
    Rights
    Copyright of the original work is retained by the author.
    Collections
    2013 - Mines Theses & Dissertations

    entitlement

     
    DSpace software (copyright © 2002 - 2023)  DuraSpace
    Quick Guide | Contact Us
    Open Repository is a service operated by 
    Atmire NV
     

    Export search results

    The export option will allow you to export the current search results of the entered query to a file. Different formats are available for download. To export the items, click on the button corresponding with the preferred download format.

    By default, clicking on the export buttons will result in a download of the allowed maximum amount of items.

    To select a subset of the search results, click "Selective Export" button and make a selection of the items you want to export. The amount of items that can be exported at once is similarly restricted as the full export.

    After making a selection, click one of the export format buttons. The amount of items that will be exported is indicated in the bubble next to export format.