• DocumentCode
    638472
  • Title

    A study of stability and magnetic phase separation of LixFePO4 by density functional approach

  • Author

    Naranchimeg, D. ; Sarantuya, L. ; Tuguldur, O. ; Munkhsaikhan, G. ; Tsogbadrakh, N. ; Batdemberel, G.

  • Author_Institution
    Sch. of Mater.´s Sci., Mongolian Univ. of Sci. & Technol., Ulaanbaatar, Mongolia
  • Volume
    1
  • fYear
    2013
  • fDate
    June 28 2013-July 1 2013
  • Firstpage
    73
  • Lastpage
    76
  • Abstract
    We present the results of density functional calculations to understand the stability and magnetic phase separation of LiFePO4. The most stable ground state of the LixFePO4 compound is investigated using the first-principles and molecular dynamics (MD) methods within the framework of density functional approach.
  • Keywords
    ab initio calculations; density functional theory; ground states; iron compounds; lithium compounds; magnetic separation; molecular dynamics method; phase separation; LixFePO4; density functional theory; first-principles calculations; ground state; magnetic phase separation; molecular dynamics method; phase stability; Frequency modulation; Heating; Phase measurement; MD; first-principles; magnetism; stability;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Strategic Technology (IFOST), 2013 8th International Forum on
  • Conference_Location
    Ulaanbaatar
  • Print_ISBN
    978-1-4799-0931-5
  • Type

    conf

  • DOI
    10.1109/IFOST.2013.6616951
  • Filename
    6616951
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=638472