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lab:research:gete
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lab:research:gete [2014/11/09 01:21] 127.0.0.1 external edit |
lab:research:gete [2014/12/29 21:01] (current) kanjin [GeTe] |
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| ==== GeTe ==== | ==== GeTe ==== | ||
| - | Using //ab initio// density functional theory, we have investigated | + | We investigate structural properties of varius amorphous phases and crystalline using molecular dynamics simulation. Also, based on a Radial Distribution Functions(RDFs), Angle Distribution Functions(ADFs) and Order Parameters(OPs) analyses, we study local structure characteristics of several phases. Our calculated OPs and RDFs are analyzed and compared to EXAFS data available. Finally, we estimate energy barriers not only between crystalline and one of amorphous phases, but also between different amorphous phases to explore their structural stability, using nudged elastic band method. |
| - | the phase transition of GeTe between its crystalline and amorphous | + | |
| - | phases. blah blah | + | |
| - | + | ||
lab/research/gete.txt · Last modified: 2014/12/29 21:01 by kanjin
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