First-principle studies of properties of ternary layered M2PbC (M=Ti, Zr and Hf)
This work investigates the structural, electronic, mechanical, and optical properties of nanolaminated M2PbC (M = Ti, Zr and Hf) compounds using the first-principles method based on the density functional theory. Geometrical optimization of the unit cell is in good agreement with the available exper...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2013
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| Online Access: | https://hdl.handle.net/10356/97016 http://hdl.handle.net/10220/13096 |