Heavy Metal Compounds and Hydrogen Storage Materials from Ab Initio Calculations
In principle, most of the properties of solids can be determined by their electronic structures. So the understanding of electronic structures is essential. This thesis presents two classes of materials using ab initio method based on density functional theory. One is heavy metal compounds like Ta2A...
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| Format: | Others |
| Language: | English |
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KTH, Tillämpad materialfysik
2013
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-120062 http://nbn-resolving.de/urn:isbn:978-91-7501-675-7 |