Role of hybridization and on-site correlations in generating plasmons in strongly correlated La2CuO4

Abstract

Electronic correlation has been shown to play an important role in generating plasmons unconventionally in strongly correlated electron systems. In this work, we calculate the band structure, complex dielectric function, reflectivity, and loss function of La 2 CuO 4 in its insulating and antiferromagnetic phase through first-principle calculations. We find strong evidence of unconventional plasmons that are generated by hybridizations and enhanced by on-site Coulomb correlations. Interestingly, these unconventional plasmons, predominantly located in the Cu-O planes, are driven by hybridizations between La 5p/Cu 3d and out-of-plane O z 2p. On the other hand, in-plane oxygen O xy 2p induces conventional plasmons. This nonuniform hybridization scheme creates an anisotropic complex dielectric function and loss function, which can be influenced by conventional plasmons, unconventional plasmons, or a mixed state between both. Our result shows that the interplay of hybridizations, particularly involving oxygen, and on-site Coulomb correlations plays an important role in determining the properties of unconventional plasmons in strongly correlated La 2 CuO 4 .

Spin Correlated-Plasmons at Room Temperature Driven by Electronic Correlations in Lead-Free 2D Hybrid Organic–Inorganic Perovskites

“…These confinement effects are comparable to the fully inorganic materials, such as Sr 1– x NbO 3+δ or Eu 0.3 Ba 0.7 Ti x Nb 1– x O 3 . In inorganic materials, their layered crystal structures have been shown to confine electrons within the oxygen layers, which introduce strong electronic correlation and exhibit a new type of plasmons. − Although both share similar crystal structure, to our knowledge, no systematic study has been done to reveal electronic structure and to investigate the existence of correlated-plasmons in 2D HOIPs. Therefore, an extensive study is needed to shed the light on the effects of electronic correlations in 2D HOIPs.…”

Coupled harmonic oscillator models for correlated plasmons in one-dimensional and quasi-one-dimensional systems

“…Given the potential of correlated plasmons, it is important to study the role of short-range and long-range interactions as a function of physical parameters that impact their optical and plasmonic behavior. However, while conventional plasmons are generally modeled by density functional theory and random phase approximation calculations [33][34][35], it is not straightforward to use these techniques for correlated plasmons [36,37] since they typically ignore short-range interactions. Therefore, a different approach is needed.…”