Concepedia

Structural, mechanical, electronic, optical and thermodynamic features of lead free oxide perovskites AMnO3 (A=Ca, Sr, Ba): DFT simulation based comparative study

Md. Atikur Rahman, Wakil Hasan, Md. Zahid Hasan, Ahmad Irfan, Sarah Chaba Mouna, Rukaia Khatun, Md. Abdur Razzaque Sarker, Md. Zahidur Rahaman, Mahmudur Rahman

Physica B Condensed Matter · 2023 · 24 citations · 73 references

DOI

Concepts

References

73

Generalized Gradient Approximation Made Simple

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

, , +16

Special points for Brillouin-zone integrations

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

, , +6

Theory of Superconductivity

J. Bardeen, Leon N. Cooper, J. R. Schrieffer · Physical Review · 1957 · 13K citations · Full text

, , +9

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

, , +17