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We report on phonon properties and electronic transitions in CaCu3Ti4O12, a material which reveals a colossal dielectric constant at room temperature without any ferroelectric transition. The results of far- and mid-infrared measurements are compared to those obtained by broadband dielectric and millimeter-wave spectroscopy on the same single crystal. The unusual temperature dependence of phonon eigenfrequencies, dampings and ionic plasma frequencies of low lying phonon modes are analyzed and discussed in detail. Electronic excitations below 4 eV are identified as transitions between full and empty hybridized oxygen-copper bands and between oxygen-copper and unoccupied Ti 3d bands. The unusually small band gap determined from the dc-conductivity (~200 meV) compares well with the optical results.
In the present work the authors report results of broadband dielectric spectroscopy on various samples of CaCu3Ti4O12, including so far only rarely investigated single crystalline material. The measurements extend up to 1.3 GHz, covering more than ni
Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for the nonlinear response of an electron-mediated charge-density-wave-ordered material. We examine both the dc current and the order par
During the last decade, ab initio methods to calculate electronic structure of materials based on hybrid functionals are increasingly becoming widely popular. In this Letter, we show that, in the case of small gap transition metal oxides, such as VO2
A wide range of disordered materials, including disordered correlated systems, show Universal Dielectric Response (UDR), followed by a superlinear power-law increase in their optical responses over exceptionally broad frequency regimes. While extensi
LiCu2O2 is the first multiferroic cuprate to be reported and its ferroelectricity is induced by complex magnetic ordering in ground state, which is still in controversy today. Herein, we have grown nearly untwinned LiCu2O2 single crystals of high qua