Theory And Practice Of Uncommon Molecular Electronic Configurations

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Studying multi-particle elementary excitations has provided unique access to understand collective many-body phenomena in correlated electronic materials, paving the way towards constructing microscopic models. In this work, we perform O K-edge resonant in ...

Nanocavities formed by ultrathin metallic gaps permitthe reproducibleengineering and enhancement of light-matter interaction, withmode volumes reaching the smallest values allowed by quantum mechanics.While the enhanced vacuum field in metallic nanogaps ha ...

The nature of the gap observed at the zone border in the spin excitation spectrum of CrI3 quasitwo-dimensional single crystals is still controversial. We perform first-principles calculations based on time-dependent density functional perturbation theory, ...

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 ...

The high-throughput exploration and screening of molecules for organic electronics involves either a 'top-down' curation and mining of existing repositories, or a 'bottom-up' assembly of user-defined fragments based on known synthetic templates. Both are t ...

Spin waves (SWs) are collective excitations of the spin ensemble in systems with magnetic order. In quantum mechanics, a SW is known as a magnon, which is the quasiparticle describing the quantized nature of these wave-like excitations. Magnonics is the re ...

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("Re" stands for the rare-earth element) and their doped derivatives have long been recognized as a family of compounds that exhibit rich phenomena in quantum magnetism, drawing wide attention to them from both fundamental researchers and industr ...

We propose a practical implementation of a two-qubit entanglement engine which denotes a scheme to generate quantum correlations through purely dissipative processes. On a diamond platform, the electron spin transitions of two nitrogen-vacancy (NV) centers ...

We combine spin-polarized scanning tunneling microscopy with quantum master equation analysis to investigate the spin dynamics of the single atom magnet Dy on graphene/Ir(111). By performing reading and writing experiments, we show that the strongly spin p ...

With the looming threat of large-scale quantum computers, a fair portion of recent cryptographic research has focused on examining cryptographic primitives from the perspective of a quantum adversary. Shor's 1994 result revealed that quantum computers can ...

Polymeric semiconductors have gained significant attention in the field of organic electronics due to their unique properties and potential applications. Through their ability to transport charge carriers and to absorb or emit light, they have attracted mu ...

New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...

Lanthanide atoms on surfaces are an exceptional platform for atomic-scale magnetic information storage. However, their potential as qubits remains unexplored due to the limited number of experimental setups that can coherently drive the spins of single ada ...

Molecules with inversion of the singlet and triplet excited-state energies are highly promising for the development of organic light-emitting diodes (OLEDs). To date, azaphenalenes are the only class of molecules where these inversions have been identified ...

Theory And Practice Of Uncommon Molecular Electronic Configurations

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Momentum-resolved spin-conserving two-triplon bound state and continuum in a cuprate ladder

Mode-Specific Coupling of Nanoparticle-on-Mirror Cavities with Cylindrical Vector Beams

First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet

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

Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design

Linear and nonlinear magnetization dynamics in permalloy thin films grown on DNA origami and nanopatterned permalloy/YIG hybrid structures

Investigation of Electro-Nuclear Spin States in LiHoF4 Using Cavity-Magnon-Polariton Technique

Dynamical nuclear polarization for dissipation-induced entanglement in NV centers

Valence Orbitals Driving the Spin Dynamics in a Rare-Earth Single-Atom Magnet

Security in the Presence of Quantum Adversaries

Drift-Diffusion Simulations of Charge Transport and Trap Dynamics in Organic Semiconductor Materials

2023 Roadmap on molecular modelling of electrochemical energy materials

Erbium and thulium on MgO(100)/Ag(100) as candidates for single atom qubits

Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons