Concepedia

Ab initio thermodynamics of zirconium hydrides and deuterides

Pär A.T. Olsson, A.R. Massih, Jakob Blomqvist, A.-M. Alvarez Holston, Christina Bjerkén

Computational Materials Science · 2014 · 91 citations · 58 references

DOI

Concepts

References

58

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

, , +17

Introduction to Solid State Physics

C. Kittel, Heng Fan · American Journal of Physics · 1957 · 22.4K citations

, , +13

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16