High- versus Low-Spin Ni<sup>2+</sup> in Elongated Octahedral Environments: Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>Se<sub>2</sub>, Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>S<sub>2</sub>, and Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>(Se<sub>1–<i>x</i></sub>S<sub><i>x</i></sub>)<sub>2</sub>
Robert D. Smyth, Jack N. Blandy, Ziyu Yu, Shuai Liu, Craig V. Topping, Simon J. Cassidy, Catherine F. Smura, Daniel N. Woodruff, Pascal Manuel, Craig L. Bull, Nicholas P. Funnell, Christopher J. Ridley, John E. McGrady, Simon J. Clarke
Abstract
may not be entirely appropriate and point to further complexities in these compounds.
Topics & Concepts
Neutron diffractionCrystallographyMagnetic momentChemistryDensity functional theoryBond lengthSpin statesOctahedronIonSelenideSpin (aerodynamics)Condensed matter physicsCrystal structureInorganic chemistryComputational chemistryPhysicsThermodynamicsOrganic chemistrySeleniumMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsIron-based superconductors research