Concepedia

Evolution of the valence state of Ru metal ions in correlation with the structural and electronic properties of double perovskite ruthenates; A<sub>2</sub>SmRuO<sub>6</sub> (where A = Ba &amp; Sr)

Sahil Dani, Rabia Pandit, Hitesh Sharma, A. Arya, R. J. Choudhary, Navdeep Goyal, Jarnail Singh, Rakesh Kumar

Journal of Materials Chemistry C · 2023 · 13 citations · 40 references

DOI

Concepts

Abstract

This novel study is crucial in understanding the intriguing electronic, structural and chemical properties of special double perovskite compounds, Ba 2 SmRuO 6 and Sr 2 SmRuO 6 , for their applications as “Spintronics based devices”.

References

40

Generalized Gradient Approximation Made Simple

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

, , +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

, , +17

A profile refinement method for nuclear and magnetic structures

H. M. Rietveld · Journal of Applied Crystallography · 1969 · 17K citations

, , +18

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 13.9K citations · Full text

, , +16

Density Functional Theory of Electronic Structure

W. Kohn, Axel D. Becke, Robert G. Parr · The Journal of Physical Chemistry · 1996 · 3.3K citations

, , +11