Concepedia

An effect of hydrogenation on the photoemission of amorphous SiCN films

O. K. Porada, A.O. Kozak, V.S. Manzhara, O. K. Sinelnichenko, L. A. Ivashchenko, Rostislav V. Shevchenko

International Journal of Hydrogen Energy · 2021 · 18 citations · 36 references

DOI

Concepts

References

36

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

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

Crystal Structure and Pair Potentials: A Molecular-Dynamics Study

Michele Parrinello, A. Rahman · Physical Review Letters · 1980 · 3.7K citations

, , +8

Physics of Amorphous Silicon–Carbon Alloys

J. Bullot, Martin Schmidt · physica status solidi (b) · 1987 · 462 citations

, , +12

Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis

Salomon R. Billeter, Alessandro Curioni, Wanda Andreoni · Computational Materials Science · 2003 · 224 citations

, , +16