Van der Waals density functional study of the structural and electronic properties of La-doped phenanthrene
By the first principle calculations based on the van der Waals density functional theory, we study the crystal structures and electronic properties of La-doped phenanthrene. Two stable atomic geometries of La₁phenanthrene are obtained by relaxation of atomic positions from various initial structures...
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| Published in: | The Journal of chemical physics Vol. 139; no. 20; p. 204709 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
28.11.2013
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| ISSN: | 1089-7690, 1089-7690 |
| Online Access: | Get more information |
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