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Effect of Electron-Electron Interactions on Metallic State in Quasicrystals

129   0   0.0 ( 0 )
 Added by Shiro Sakai
 Publication date 2020
  fields Physics
and research's language is English




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We theoretically study the effect of electron-electron interactions on the metallic state of quasicrystals. To address the problem, we introduce the extended Hubbard model on the Ammann-Beenker tiling as a simple theoretical model. The model is numerically solved within an inhomogeneous mean-field theory. Because of the lack of periodicity, the metallic state is nonuniform in the electron density even in the noninteracting limit. We clarify how this charge distribution pattern changes with electron-electron interactions. We find that the intersite interactions change the distribution substantially and in an electron-hole asymmetric way. We clarify the origin of these changes through the analyses in the real and perpendicular spaces. Our results offer a fundamental basis to understand the electronic states in quasicrystalline metals.



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An essential ingredient in many model Hamiltonians, such as the Hubbard model, is the effective electron-electron interaction $U$, which enters as matrix elements in some localized basis. These matrix elements provide the necessary information in the model, but the localized basis is incomplete for describing $U$. We present a systematic scheme for computing the manifestly basis-independent dynamical interaction in position representation, $U({bf r},{bf r};omega)$, and its Fourier transform to time domain, $U({bf r},{bf r};tau)$. These functions can serve as an unbiased tool for the construction of model Hamiltonians. For illustration we apply the scheme within the constrained random-phase approximation to the cuprate parent compounds La$_2$CuO$_4$ and HgBa$_2$CuO$_4$ within the commonly used 1- and 3-band models, and to non-superconducting SrVO$_{3}$ within the $t_{2g}$ model. Our method is used to investigate the shape and strength of screening channels in the compounds. We show that the O 2$p_{x,y}-$Cu 3$d_{x^2-y^2}$ screening gives rise to regions with strong attractive static interaction in the minimal (1-band) model in both cuprates. On the other hand, in the minimal ($t_{2g}$) model of SrVO$_3$ only regions with a minute attractive interaction are found. The temporal interaction exhibits generic damped oscillations in all compounds, and its time-integral is shown to be the potential caused by inserting a frozen point charge at $tau=0$. When studying the latter within the three-band model for the cuprates, short time intervals are found to produce a negative potential.
Understanding the electron dynamics and transport in metallic and semiconductor nanostructures -- such as metallic nanoparticles, thin films, quantum wells and quantum dots -- represents a considerable challenge for todays condensed matter physics, both fundamental and applied. In this review article, we will describe the collective electron dynamics in metallic and semiconductor nanostructures using different, but complementary, approaches. For small excitations (linear regime), the spectral properties can be investigated via quantum mean-field models of the TDLDA type (time-dependent local density approximation), generalized to account for a finite electron temperature. In order to explore the nonlinear regime (strong excitations), we will adopt a phase-space approach that relies on the resolution of kinetic equations in the classical phase space (Vlasov and Wigner equations). The phase-space approach provides a useful link between the classical and quantum dynamics and is well suited to model effects beyond the mean field approximation (electron-electron and electron-phonon collisions). We will also develop a quantum hydrodynamic model, based on velocity moments of the corresponding Wigner distribution function: this approach should lead to considerable gains in computing time in comparison with simulations based on conventional methods, such as density functional theory (DFT). Finally, the magnetization (spin) dynamics will also be addressed.
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