Signatures of spin-orbital states of t2g2 system in optical conductivity: RVO3 (R=Y and La)

2017/08/31 by Minjae Kim
Materials Science · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Algorithm #Atomic physics #Condensed matter physics #Density functional theory #Electronic and Structural Properties of Oxides #Magnetic and transport properties of perovskites and related materials #Mathematics #Multiplet #Optical conductivity #Physics #Quantum mechanics #Spin (aerodynamics) #Spin states #State (computer science) #Thermodynamics #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.97.155141

published as Phys. Rev. B 97, 155141 (2018) · 9 pages, 8 figures

openalex created_date 2017/08/31 · arxiv created 2018/03/30 · openalex publication_date 2018/04/19 · arxiv updated 2018/04/20 · openalex updated_date 2026/08/05

Abstract

We investigate signatures of the spin and orbital states of RVO₃ (R=Y and La) in optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of multiplet state configurations to optical transitions, the DFT+DMFT reproduces experimental temperature-dependent evolutions of optical conductivity for both YVO₃ and LaVO₃. We also show that the optical conductivity is a useful quantity to probe the evolution of the orbital state even in the absence of spin order. The result provides a reference to investigate the spin and orbital states of t_2g² vanadate systems, which is an important issue for both fundamental physics on spin and orbital states and applications of vanadates by means of orbital state control.

Citations

• Spin, Orbital, and Charge Order at the Interface between Correlated Oxides
• TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
• Continuous-time Monte Carlo methods for quantum impurity models