Effective Hamiltonian for nickelate oxides <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Nd</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Sr</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>NiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Hu Zhang, Lipeng Jin, Shanmin Wang, Bin Xi, Xingqiang Shi, Fei Ye, Jia-Wei Mei
Abstract
The authors combined the Heyd-Scuseria-Ernzerhof hybrid density functional first-principles calculation and the cluster exact diagonalization to study the strongly correlated electronic structures of the nickelate oxides Nd1\ensuremath{-}xSrxNiO2 and derive the effective one-band Hamiltonian model for the superconductivity.
Topics & Concepts
Hamiltonian (control theory)PhysicsElectronic structureDensity functional theoryCluster (spacecraft)Condensed matter physicsQuantum mechanicsLocal-density approximationMaterials scienceCluster expansionMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides