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

Autor:	D. Naranchimeg, G. Batdemberel, O. Tuguldur, L. Sarantuya, G. Munkhsaikhan, N. Tsogbadrakh
Rok vydání:	2013
Předmět:	Molecular dynamics Condensed matter physics Ab initio quantum chemistry methods Chemical physics Chemistry Magnetic separation Density functional theory Magnetic phase Ground state Stability (probability)
Zdroj:	Ifost.
DOI:	10.1109/ifost.2013.6616951
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ade18cfb4b52f2e7b05c2edbc5b9dd0e https://doi.org/10.1109/ifost.2013.6616951 Zobrazit plný text záznamu