相关论文: The challenge of unravelling magnetic properties i…

The dynamics of magnetic moments consist of a precession around the magnetic field direction and a relaxation towards the field to minimize the energy. While the magnetic moment and the angular momentum are conventionally assumed to be…

Polyacetylene, a simple yet fascinating polymer, has been of great interest for its unique electronic properties. However, the role of electronic correlation effects in polyacetylene still has not been explored fully on an ab initio basis.…

The electromagnetic properties of neutrinos have attracted considerable attention from researchers for many decades (see [1] for a review). However, until recently, there was no indication in favour of nonzero electromagnetic properties of…

In this paper the magnetic behaviour of undoped and 15% F doped SmFeAsO (Sm-1111) and LaFeAsO (La-1111) samples is presented and discussed. Magnetization measurements are not a simple tool to use for the characterisation of the new family…

Transition metal oxides belong to a genre of quantum materials essential for the exploration of theoretical methods for quantifying electronic correlation. Finding an efficient and accurate first principles method for the assertion of such…

The diverse quantization phenomena in 2D condensed-matter systems, being due to a uniform perpendicular magnetic field and the geometry-created lattice symmetries, are the focuses of this book. They cover the diversified magneto-electronic…

The combination of theory and simulation is necessary in the investigation of properties of complex systems where each method alone cannot do the task properly. Theory needs simulation to test ideas and to check approximations. Simulation…

Magnetism governs key properties of materials used in energy, data storage, and spintronic technologies, yet its complex coupling to lattice and electronic degrees of freedom challenges conventional first-principles approaches. We introduce…

The electronic structure of the Fe-based superconductors is discussed, mainly from the point of view of first principles calculations in relation to experimental data. Comparisons and contrasts with cuprates are made. The problem of…

Consistent initialization of the Laplace transform has been a fundamental and long-standing issue. The consistency of the L- approach has been questioned, yet it is a popular approach since the L+ approach requires a priori computation of…

First principles electronic structure calculations based on density functional theory have been used to study the thermodynamic, structural and transport properties of solid solutions and liquid alloys of iron and oxygen at Earth's core…

The mechanism of superconductivity and magnetism and their possible interplay have recently been under debate in pnictides. A likely pairing mechanism includes an important role of spin fluctuations and can be expressed in terms of the…

We have calculated the local magnetic susceptibility of one of the prototypical Fe-based superconductors (LaFeAsO) by means of the local density approximation + dynamical mean field theory as a function of both (imaginary) time and real…

We have calculated from first principles the electronic structure of 0.5 monolayer upto 5 monolayer thick Fe layers on top of a GaAs (100) surface. We find the Fe magnetic moment to be determined by the Fe-As distance. As segregates to the…

Magnetic susceptibility measurements are often the first characterization tool that researchers turn to when beginning to assess the magnetic nature of a newly discovered material. Breakthroughs in instrumentation have made the collection…

Nonequilibrium electron dynamics in solids is an important subject from both fundamental and technological points of view. The recent development of laser technology has enabled us to study ultrafast electron dynamics in the time domain.…

LaAlO3 and SrTiO3 are insulating, nonmagnetic oxides, yet the interface between them exhibits a two-dimensional electron system with high electron mobility,1 superconductivity at low temperatures,2-6 and electric-field-tuned metal-insulator…

The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fundamental questions about the electronic structure and…

We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…

We present a first principle computation of vertical stripes in $La_{15/8}Sr_{1/8}CuO_4$ within the LDA+U method. We find that Cu centered stripes are unstable toward O centered stripes. The metallic core of the stripe is quite wide and…