Interplay of electronic correlations and lattice instabilities in BaVS3

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Electron-rich organocerium complexes (C5Me4H)(3)Ce and [(C5Me5)(2)Ce(ortho-oxa)], with redox potentials E-1/2 = -0.82 V and E-1/2 = -0.86 V versus Fc/Fc(+), respectively, were reacted with fullerene (C-60) in different stoichiometries to obtain molecular m ...

Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate isolated platinum phthalocyanine (PtPc) molecules adsorbed on an atomically thin NaCl(100) film vapor deposited on Au(111). We obtain good agreement between theory a ...

We study the magneto-rotational instability (MRI) dynamo in a geometrically thin disc (H/R < 1) using stratified zero net (vertical) flux shearing box simulations. We find that mean fields and electromotive forces (EMFs) oscillate with a primary frequency ...

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

The significant discrepancy observed between the predicted and experimental switching fields in correlated insulators under a DC electric field far-from-equilibrium necessitates a reevaluation of current microscopic understanding. Here we show that an elec ...

In rare earth nickelates, the metal-to-insulator transition observed as a function of temperature can be described using an electronic and a structural order parameter. The electronic one is linked to the electronic disproportionation observed below the tr ...

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 ...

The discovery of superconductivity in doped infinite-layer nickelate thin films has brought increased attention to the behavior of the doped perovskite phase. Despite this interest, the majority of existing studies pertain to hole-doped perovskite rare-ear ...

We report on HD 213258, an Ap star that we recently identified as presenting a unique combination of rare, remarkable properties. Our study of this star is based on ESPaDOnS Stokes I and V data obtained at seven epochs spanning a time interval slightly sho ...

Context. We report the exploitation of a sample of Solar System observations based on data from the third Gaia Data Release (Gaia DR3) of nearly 157 000 asteroids. It extends the epoch astrometric solution over the time coverage planned for the Gaia DR4, w ...

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

Two-dimensional flat-band systems have recently attracted considerable interest due to the rich physics unveiled by emergent phenomena and correlated electronic states at van Hove singularities. However, the difficulties in electrically detecting the flat- ...

The low-energy electronic structure of nanographenes can be tuned through zero-energy pi-electron states, typically referred to as zero-modes. Customizable electronic and magnetic structures have been engineered by coupling zero-modes through exchange and ...

Microcavity polaritons are strongly interacting hybrid light-matter quasiparticles, which are promising for the development of novel light sources and active photonic devices. Here, we report polariton lasing in the UV spectral range in microring resonator ...

The magnetic propertiesof transition-metal ions aregenerallydescribed by the atomic spins of the ions and their exchange coupling.The orbital moment, usually largely quenched due the ligand field,is then seen as a perturbation. In such a scheme, S = 1/2 io ...

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

We show that effectively cold metastable states in one-dimensional photodoped Mott insulators described by the extended Hubbard model exhibit spin, charge, and q-spin separation. Their wave functions in the large on-site Coulomb interaction limit can be ex ...

Two-dimensional (2D) materials are atomically thin crystals with exceptional mechanical, electrical and optical properties. Their unique characteristics originating from quantum confinement in the vertical dimension have attracted a strong interest for sci ...

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

Symmetry considerations are at the core of the major frameworks used to provide an effective mathematical representation of atomic configurations that is then used in machine-learning models to predict the properties associated with each structure. In most ...

Interplay of electronic correlations and lattice instabilities in BaVS3

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Realization of Organocerium-Based Fullerene Molecular Materials Showing Mott Insulator-Type Behavior

Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Shedding light on the MRI-driven dynamo in a stratified shearing box

Murunskite - a new class of functional material

Correlated insulator collapse due to quantum avalanche via in-gap ladder states

Electronic Coupling of Metal-to-Insulator Transitions in Nickelate-Based Heterostructures

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

Competition between Carrier Injection and Structural Distortions in Electron-Doped Perovskite Nickelate Thin Films

HD 213258: A new rapidly oscillating, super slowly rotating, strongly magnetic Ap star in a spectroscopic binary

Gaia Focused Product Release: Asteroid orbital solution: Properties and assessment

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Electrical detection of the flat-band dispersion in van der Waals field-effect structures

Five-Membered Rings Create Off-Zero Modes in Nanographene

Polariton lasing in AlGaN microring with GaN/AlGaN quantum wells

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Spin, Charge, and ?-Spin Separation in One-Dimensional Photodoped Mott Insulators

Optoelectronics based on the spin-valley physics of 2D materials

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties