Modelling of neutral vacancies in forsterite mineral

Modelling of neutral vacancies in forsterite mineral

Density functional theory and generalized gradient approximation have been employed to study Mg, Si and O vacancies in the Mg2SiO4 forsterite mineral. Microstructure of defect equilibrium geometries, electronic properties as well as chemical bonding in the region surrounding each one of the vacancie...

पूर्ण विवरण

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ग्रंथसूची विवरण
मुख्य लेखक:	Stashans, A. (author)
स्वरूप:	article
प्रकाशित:	2013
विषय:	DFT
ऑनलाइन पहुंच:	http://dspace.utpl.edu.ec/handle/123456789/19164
टैग:	टैग जोड़ें कोई टैग नहीं, इस रिकॉर्ड को टैग करने वाले पहले व्यक्ति बनें!

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