Density functional thermodynamic description of spin, phonon and displacement degrees of freedom in antiferromagnetic-to-paramagnetic phase transition in YNiO3
Jinglian Du, Oleksandr I. Malyi, Shun‐Li Shang, Yi Wang, Xingang Zhao, Fei Liu, Alex Zunger, Zi‐Kui Liu
Topics & Concepts
AntiferromagnetismCondensed matter physicsPhononParamagnetismDensity functional theoryDegrees of freedom (physics and chemistry)Phase transitionMaterials scienceSpin (aerodynamics)PhysicsThermodynamicsQuantum mechanicsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics