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Ab initio calculation of the Fermi surface of RuO2

✍ Scribed by B.Yu. Yavorsky; O.V. Krasovska; E.E. Krasovskii; A.N. Yaresko; V.N. Antonov


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
599 KB
Volume
225
Category
Article
ISSN
0921-4526

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Ab-initio calculation of (101) and (100)
✍ Satoru Tanimoto; Takatoshi Nagano πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 561 KB

We study the atomic and electric structure on the ( 101) and (100) surface of -FeSi 2 by ab-initio calculation using the projector augmented wave method (PAW). The cohesive energy calculated with the slab model show that the structure Si layer biased in the surface is stable. The simulated STM image