Concepedia

First-Principles Exploration into the Physical and Chemical Properties of Certain Newly Identified SnO<sub>2</sub> Polymorphs

Kanimozhi Balakrishnan, Vasu Veerapandy, Helmer Fjellvåg, Ponniah Vajeeston

ACS Omega · 2022 · 35 citations · 54 references

DOIFull text

Open access

Concepts

Abstract

, rutile is a promising candidate for many applications; however, we investigated the feasibility of the remaining polymorphs for practical applications.

References

54

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

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

Special points for Brillouin-zone integrations

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

, , +6

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15