Concepedia

A novel investigation of pressure-induced semiconducting to metallic transition of lead free novel Ba <sub>3</sub> SbI <sub>3</sub> perovskite with exceptional optoelectronic properties

Md. Ferdous Rahman, M. Toki, Ahmad Irfan, Aijaz Rasool Chaudhry, Rajabur Rahaman, Md. Rasheduzzaman, Md. Zahid Hasan

RSC Advances · 2024 · 17 citations · 73 references

DOIFull text

Open access

Abstract

The structural, electronic, mechanical, and optical characteristics of barium-based halide perovskite Ba 3 SbI 3 under the influence of pressures ranging from 0 to 10 GPa have been analyzed using first-principles calculations for the first time.

References

73

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations

, , +19

<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma, Fujio Izumi · Journal of Applied Crystallography · 2011 · 23.9K citations

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

, , +19

The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 10.8K citations

, , +16

XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

S.F. Pugh · The London Edinburgh and Dublin Philosophical Magazine and Journal of Science · 1954 · 8.1K citations

, , +15