Crystal Structures and Mechanical Properties of Ca2C at High Pressure
Recently, a new high-pressure semiconductor phase of Ca2C (space group Pnma) was successfully synthesized, it has a low-pressure metallic phase (space group C2/m). In this paper, a systematic investigation of the pressure-induced phase transition of Ca2C is studied on the basis of first-principles c...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2016-07-01
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| Series: | Materials |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1996-1944/9/7/570 |