Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, spectroscopic, and transport properties. It encompasses the development and application of theoretical methods such as density functional theory, wavefunction-based quantum chemistry, many-body perturbation theory, and quantum Monte Carlo to compute energies, charge densities, band structures, and excited states. The field underpins predictive materials design, catalysis, electronic and photonic device engineering, and strongly correlated systems research by linking microscopic electron behavior to macroscopic observables and emergent phenomena.
Researchers from Tohoku University and collaborators have developed a weak fluorination strategy to address the zero-bandgap limitation of graphene. Details of the research were published in the journal Applied Physics Letters.
Nanophysics
Dec 18, 2024
0
70
The quantum Hall effect, a fundamental effect in quantum mechanics, not only generates an electric but also a magnetic current. It arises from the motion of electrons on an orbit around the nuclei of atoms. This has been ...
Condensed Matter
Dec 17, 2024
0
133
As ultra-small nanoparticles with uniform sizes and well-defined structures, ligand-protected coinage metal nanoclusters show distinctive electronic structures and physicochemical properties in contrast to bulk nanomaterials ...
Nanomaterials
Dec 4, 2024
0
23
Physicists at Loughborough University have made an exciting breakthrough in understanding how to fine-tune the behavior of electrons in quantum materials poised to drive the next generation of advanced technologies.
Condensed Matter
Dec 2, 2024
0
75
Strong interactions between subatomic particles like electrons occur when they are at a specific energy level known as the van Hove singularity. These interactions give rise to unusual properties in quantum materials, such ...
Condensed Matter
Nov 22, 2024
0
149
Addressing the challenge of controlling electronic states in materials, the scientific community has been exploring innovative methods. Recently, researchers from Peking University, led by Professor Nanlin Wang, in collaboration ...
Condensed Matter
Nov 15, 2024
0
48
Moiré materials, such as twisted bilayer graphene, are materials generally formed by stacking two or more layers of 2D materials on top of each other with a small lattice mismatch. This slight mismatch creates a unique pattern ...
Quantum computers hold the promise to emulate complex materials, helping researchers better understand the physical properties that arise from interacting atoms and electrons. This may one day lead to the discovery or design ...
Condensed Matter
Oct 30, 2024
0
74
For the first time, EPFL researchers have exclusively observed molecules participating in hydrogen bonds in liquid water, measuring electronic and nuclear quantum effects that were previously accessible only via theoretical ...
Optics & Photonics
Oct 25, 2024
0
251
The bulk photovoltaic (BPV) effect is an uncommon phenomenon that may enable certain materials to outperform the conventional p–n junctions used in solar cells.
Condensed Matter
Oct 22, 2024
0
62
