Concepedia

First-principles calculations to investigate structural and electronic properties of novel halides ZrIX (X = Cl, Br) for photovoltaic application

Yashasvi Naik, Disha Mehta, P.R. Parmar, P. B. Thakor

Physica B Condensed Matter · 2023 · 35 citations · 79 references

DOI

Concepts

References

79

Generalized Gradient Approximation Made Simple

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

, , +16

Projector augmented-wave method

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

, , +17

Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 66.1K citations · Full text

, , +17

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

Two-dimensional atomic crystals

Kostya S. Novoselov, Da Jiang, F. Schedin et al. · Proceedings of the National Academy of Sciences · 2005 · 11.6K citations · Full text

, , +16