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Repositorio Atenea de la Facultad de Ciencias, UNAM >
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Please use this identifier to cite or link to this item:
http://hdl.handle.net/11154/2410
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| Title: | Bonding properties of the new Zintl-phase hydrides |
| Authors: | Orgaz, E
Aburto Espina, Andrea Luisa |
| Issue Date: | 2005 |
| Abstract: | We investigated the electronic structure of three recently discovered Zintl-phase hydrides: SrAl2H2, Ca3SnH2, and Ca5Sn3H. The energy bands and the total and partial densities of states were computed by means of the full-potential linearized augmented-plane-wave method. We found the SrAl2H2 and Ca5Sn3H hydrides are metallic and Ca3SnH2 is a small-gap semiconductor. We analyzed the chemical bonding features of this series of compounds. (C) 2004 Wiley Periodicals, Inc. |
| URI: | http://hdl.handle.net/11154/2410 |
| ISSN: | 0020-7608 |
| Appears in Collections: | Física
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