Density Functional Theory Study of Bulk Properties of Metallic Alloys and Compounds
First-principles methods based on Density functional theory (DFT) are now adopted routinely to calculate the properties of materials. However, one of the biggest challenges of DFT is to describe the electronic behaviors of random alloys. One of the aims of this thesis is to study binary alloys, e.g....
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| Format: | Doctoral Thesis |
| Language: | English |
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KTH, Tillämpad materialfysik
2017
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-210305 http://nbn-resolving.de/urn:isbn:978-91-7729-350-7 |