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.ricest.ac.ir/dl/search/defaultta.aspx?DTC=49&DC=638472
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