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Calculation of the Band Structure of "Complex" Crystals

✍ Scribed by Segall, B.


Book ID
125527187
Publisher
The American Physical Society
Year
1957
Tongue
English
Weight
557 KB
Volume
105
Category
Article
ISSN
0031-899X

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Because of inconsistencies in literature data, the crystal structure of ZrTe 3 was redetermined from single-crystal data and the electronic band structure was calculated using density functional theory in the local density approximation (LDA) and the linear muffin tin orbital method (LMTO). ZrTe 3 c