A computational study of ionic vacancies and diffusion in MgSiO3 perovskite and post-perovskite

Earth and Planetary Science Letters

Volumn 260, Issue 1-2, 2007, Pages 201-211

  Karki, Bijaya B ^a,b   Khanduja, Gaurav ^a  

^a Louisiana State University   (United States)

^b LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

defects; diffusion; first principles simulation; high pressure; MgSiO3; scientific visualization

Indexed keywords

FIRST-PRINCIPLES SIMULATION; IONIC DIFFUSION; IONIC VACANCIES;

CRYSTAL ATOMIC STRUCTURE; DATA VISUALIZATION; DEFECTS; DENSITY FUNCTIONAL THEORY; DIFFUSION; ELECTRONIC STRUCTURE; ENTHALPY; HIGH PRESSURE EFFECTS;

PEROVSKITE;

DIFFUSION; HIGH PRESSURE; NEUTRON ACTIVATION ANALYSIS; PEROVSKITE; VISUALIZATION;

EID: 34447264268     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2007.05.031     Document Type: Article

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