Ab initio molecular-dynamics study of structural and electronic properties of liquid MgSiO3 under pressure
The structural and electronic properties of liquid MgSiO3 under pressure are investigated by ab initio molecular-dynamics simulations. At ambient pressure, most of Si atoms have the same coordination even in the liquid state as in the crystalline phase, i.e., each Si atom is bonded to two bridging o...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2011-05-01
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| Series: | EPJ Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/epjconf/20111502004 |