Novel Methods for Electronic Structure Calculations.

 

  • 1 Program: see the program with the days and time of each talk (click here).
  • 2Registration: all attenders (also the speakers) must register in the workshop (click here).
  • 3Latest news: First Announcement (click here).

Manuel Richter

Institute for Theoretical Solid State Physics, Leibniz Institute for Solid State & Materials Research Dresden (IFW Dresden), Germany.

 

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An excursion along Bain paths of the transition metal elements

The concept of the Bain path will be introduced with focus on its importance for the description of epitaxial films. Based on the results of density-functional calculations, predictions on three related subjects will be presented:

  1. First-order structural transitions in strained epitaxial films;
  2. Metastable bulk phases of hexagonal transition metal elements;
  3. The possibility to prepare ferromagnetic states of non-magnetic elements by epitaxial growth.

Finally, experimental data on epitaxial FePd alloy films will be shown which? demonstrate the extraordinary structural flexibility of this particular system.