Related papers: Dielectric Spectroscopy on Organic Charge-Transfer…
Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…
The demand for renewable and environmentally friendly energy source has attracted extensive research on high performance catalysts. Ferroelectrics which are a class of materials with a switchable polarization are the unique and promising…
The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multi-state data storage. Although multiferroics have been broadly…
The organic charge-transfer salt $\kappa$-(BEDT-TTF)$_{2}$Hg(SCN)$_{2}$Br is a quasi two-dimensional metal with a half-filled conduction band at ambient conditions. When cooled below $T=80$ K it undergoes a pronounced transition to an…
In the present work, we provide broadband dielectric spectra showing strong electrode polarization effects for various materials, belonging to very different material classes. This includes both ionic and electronic conductors as, e.g.,…
We report comprehensive Raman and infrared investigations of charge-order (CO) fluctuations in the organic metal $\beta^{\prime\prime}$-(BEDT-TTF)$_2$SF$_5$CHFSO$_3$ and superconductor…
Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…
A short review of correlated electrons in molecular systems has been performed. Main attention has been focussed on ET salts, which are the d=2 systems. They show the Mott transition in high temperatures and the transition from the…
In the realm of modern materials science and advanced electronics, ferroelectric materials have emerged as a subject of great intrigue and significance, chiefly due to their remarkable property of reversible spontaneous polarization. This…
We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…
Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in…
We present absorption coefficient {\alpha}({\omega}), transverse dielectric function {\epsilon}({\omega}), optical conductivity {\sigma}({\omega}), and reflectance R({\omega}) calculated for an emeraldine salt conducting polymer in its…
From lithium-ion batteries to high-temperature superconductors, oxide materials have been widely used in electronic devices. However, demands of future technologies require materials beyond oxides, as anion chemistries distinct from oxygen…
These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field…
Tailored optical excitations can steer a system along non-equilibrium pathways to metastable states with specific structural or electronic properties. The light-induced hidden state of 1T-TaS$_{2}$, with its strongly enhanced conductivity…
Two-dimensional (2D) ferroelectrics offer the potential for ultrathin flexible nanoelectronics, typically utilizing a metal-ferroelectric-metal sandwich structure as the functional unit. Electrodes can either contribute free carriers to…
Within the two-band model of superconductivity, we study the dependence of the critical temperature Tc and of the isotope exponent alpha in the proximity to an electronic topological transition (ETT). The ETT is associated with a 3D-2D…
Complex oxides exhibit many intriguing phenomena, including metal-insulator transition, ferroelectricity/multiferroicity, colossal magnetoresistance and high transition temperature superconductivity. Advances in epitaxial thin film growth…
The band structure and magnetic properties of organic charge-transfer salt $\lambda$-(BEDSe-TTF)$_2$GaCl$_4$ (BEDSe-TTF: bis(ethylenediseleno)tetrathiafulvalene; abbreviated as $\lambda$-BEDSe) are investigated. The reported crystal…
The quasi one-dimensional organic conductor (TMTTF)2AsF6 shows the charge ordering transition at Tc101K to a state of the ferroelectric Mott insulator which is still well conducting. We present and interpret the experimental data on the…