Concepedia

Cyano-bridged perovskite [(CH<sub>3</sub>)<sub>3</sub>NOH]<sub>2</sub>[KM(CN)<sub>6</sub>], [M: Fe(<scp>iii</scp>), and Co(<scp>iii</scp>)] for high-temperature multi-axial ferroelectric applications with enhanced thermal and nonlinear optical performance

Magdalena Rok, Agnieszka Ciżman, Bartosz Zarychta, Jan K. Zaręba, Monika Trzebiatowska, Mirosław Mączka, Alessandro Stroppa, Shurong Yuan, Anthony E. Phillips, G. Bator

Journal of Materials Chemistry C · 2020 · 39 citations · 52 references

Abstract

Highly stable ferroelectrics with reversible high-temperature phase transitions and switchable nonlinear optical behaviour.

References

52

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations

Numerical Analysis, Engineering, Computational Chemistry +17

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 86.8K citations · Full text

Shelx System, Engineering, Molecular Biology +14

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations

Optical Materials, Engineering, Acoustic Metamaterial +18

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 41.1K citations · Full text

X-ray Crystallography, Materials Science, Crystal Structure +13