Direct probing of energy gaps and bandwidth in gate-tunable flat band graphene systems

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Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

We report a combined theoretical and experimental investigation devoted to getting deeper insights into the exotic magnetic properties of the low-dimensional SeCuO3 system, for which the two inequivalent Cu(1) and Cu(2) sites show different quantum dynamic ...

Surface defects cause non-radiative charge recombination and reduce the photovoltaic performance of perovskite solar cells (PSCs), thus effective passivation of defects has become a crucial method for achieving efficient and stable devices. Organic ammoniu ...

Periodic photonic structures have attracted much interest due to their versatility for controlling light propagation. The dispersion of photon modes in photonic lattices exhibits an energy band structure analo-gous to the electronic one in crystals. An imp ...

We focus on the determination of point defects in semiconductor materials through constant-Fermi-level ab initio molecular dynamics and demonstrate that this technique can be used as a computer-based tool to reveal and control relevant defects in semicondu ...

Anatase TiO2 (a-TiO2) exhibits a strong x-ray absorption linear dichroism in the pre-edge, the XANES and the EXAFS at the titanium K edge. In the pre-edge region, the behavior of the A1-A3 and B peaks originating from the 1s - 3d transitions is due to the ...

Dye-sensitized solar cells (DSCs) have been widely studied in the last two decades and start to be commercialized in the photovoltaic market. Comprehensive characterization is needed to fully understand and optimize the device performance and stability. In ...

The electronic properties of Cu0.07Bi2Se3 have been investigated using Shubnikov-de Haas and optical reflectance measurements. Quantum oscillations reveal a bulk, three-dimensional Fermi surface with anisotropy k(F)(c)/k(F)(ab) approximate to 2 and a modes ...

Magnetic properties of a large assembly of ultrathin graphitic particles obtained by heavy sonication of graphite powder dispersed in N-methylpyrrolidone were measured by electron-spin resonance (ESR). The ESR signal was decomposed into one narrow and one ...

Motivated by the ongoing investigation of SrCu2(BO3)(2) under pressure, we study a variant of the two-dimensional Shastry-Sutherland (SS) spin-1/2 model with two types of dimers. Combined with the frustration of the SS model, this modification induces, in ...

Direct probing of energy gaps and bandwidth in gate-tunable flat band graphene systems

Chattez avec Graph Search

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Coherent description of the magnetic properties of SeCuO3 versus temperature and magnetic field

Molecularly Tailored Surface Defect Modifier for Efficient and Stable Perovskite Solar Cells

Localized Photon Lasing in a Polaritonic Lattice Landscape

Exploring Defects in Semiconductor Materials Through Constant Fermi Level Ab-Initio Molecular Dynamics

X-ray absorption linear dichroism at the Ti K edge of anatase TiO2 single crystals

Characterization techniques for dye-sensitized solar cells

Bulk Fermi surface and electronic properties of Cu0.07Bi2Se3

Magnetism in nanoscale graphite flakes as seen via electron spin resonance

Emergence of one-dimensional physics from the distorted Shastry-Sutherland lattice