Related papers: Insulator-metal transition in solid hydrogen: Impl…
In heavy fermions the relaxation dynamics of photoexcited carriers has been found to be governed by the low energy indirect gap, E$_{g}$, resulting from hybridization between localized moments and conduction band electrons. Here, carrier…
We determine the electronic structure and phase stability of paramagnetic V$_2$O$_3$ at the Mott-Hubbard metal-insulator phase transition, by employing a combination of an ab initio method for calculating band structures with dynamical…
The fine structure interval of P states in hydrogenlike systems can be determined theoretically with high precision, because the energy levels of P states are only slightly influenced by the structure of the nucleus. Therefore a measurement…
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,…
The rapid progress of electron spin resonance scanning tunneling microscopy experiments has enabled the manipulation of individual adsorbate spin states physisorbed on ultrathin oxide layers supported on metal substrates. Electron resonance…
To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp)…
Properties of strongly correlated two-dimensional (2D) electron systems in solids are studied on the assumption that these systems undergo a phase transition, called fermion condensation, whose characteristic feature is flattening of the…
We report measurements and calculations on the properties of the intermetallic compound Be$_5$Pt. High-quality polycrystalline samples show a nearly constant temperature dependence of the electrical resistivity over a wide temperature…
We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is…
It has recently been shown that the TIP4P/Ice model of water can be studied numerically in metastable equilibrium at and below its liquid-liquid critical temperature. We report here simulations along a subcritical isotherm, for which two…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
LaMg2H7 is a ternary wide band gap semiconductor that is a member of the hydride family. The bulk physical characteristics of the LaMg2H7 compound, including its structural, electronic band structure, elastic, thermal, and optical…
The superconducting state of Mg$^{10}$B$_{2}$ is investigated by specific heat measurements in detail. The specific heat in the normal state is analyzed using a recently developed computer code. This allows for an extraction of the…
The high-pressure II-III phase transition in solid hydrogen is investigated using the random phase approximation and diffusion Monte Carlo. Good agreement between the methods is found confirming that an accurate treatment of exchange and…
We report electrical transport measurements on GaAs/AlGaAs based electron-hole bilayers. These systems are expected to make a transition from a pair of weakly coupled two-dimensional systems to a strongly coupled exciton system as the…
We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph{statistically consistent Gutzwiller approximation} (SGA) to…
We study the electronic structure and thermoelectric properties of recently synthesized CoAsSb. The calculated bandgap becomes more accurate for increasingly-complex electronic structure methods: generalized gradient approximation, hybrid…
Recent theoretical calculations and experimental results suggest that the strongly correlated material SmB$_{6}$ may be a realization of a topological Kondo insulator. We have performed an angle-resolved photoemission spectroscopy study on…
The effect of screening of the coulomb interaction between two layers of two-dimensional electrons, such as in graphene, by a highly doped semiconducting substrate is investigated. We employ the random-phase approximation to calculate the…
Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary…