Tags: Transition metals

All Categories (1-2 of 2)

  1. Atomistic Green’s Functions: The Beauty of Self-energies

    28 Oct 2020 | | Contributor(s):: Tillmann Christoph Kubis

    This presentation gives an introduction to NEGF. It will be explained how self-energies cause NEGF to fundamentally differ from most other quantum methods. Atomistic examples of phonon and impurity scattering self-energies agree quantitatively with experiments.

  2. High Pressure DFT Data

    20 Feb 2018 | | Contributor(s):: Austin Zadoks, Sam Reeve, Karthik Guda Vishnu, Alejandro Strachan

    Query and retrieve elastic constants and phase stability data from high-pressure DFT calculations