Concepedia

On the nature of point defect and its effect on electronic structure of rocksalt hafnium nitride films

Zhiqing Gu, Chaoquan Hu, Xiaofeng Fan, Le Xu, Mao Wen, Qingnan Meng, Lei Zhao, Xianliang Zheng, Weitao Zheng

Acta Materialia · 2014 · 39 citations · 40 references

DOI

Concepts

References

40

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

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

Vacancy Hardening and Softening in Transition Metal Carbides and Nitrides

Seung-Hoon Jhi, Steven G. Louie, Marvin L. Cohen et al. · Physical Review Letters · 2001 · 322 citations

, , +15

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

Davide G. Sangiovanni, L. Hultman, V. Chirita · Acta Materialia · 2011 · 217 citations · Full text

, , +11