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.
In a study of one-dimensional electron correlation states at the MTB of monolayer and bilayer MoSe2, a research team found that two types of correlated insulating states driven by a dubbed Hubbard-type Coulomb blockade effect ...
Nanophysics
Oct 28, 2022
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154
Tungsten di-telluride (WTe2) has recently proven to be a promising material for the realization of topological states. These are regarded as the key to novel "spintronic" devices and quantum computers of the future due to ...
Nanophysics
Aug 25, 2022
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99
Tiny materials hold big mysteries, the solutions to which could bring about next-generation electronics. An international collaboration led by researchers based in Japan has solved the whodunit of cryptic overtone signals ...
Nanophysics
Aug 24, 2022
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125
A pair of researchers, one with Peking University, the other with Princeton University, has found that the parameters of twisted-graphene's excitation spectra correspond directly to attributes of the heavy fermion model. ...
Graphene consists of carbon atoms that crosslink in a plane to form a flat honeycomb structure. In addition to surprisingly high mechanical stability, the material has exciting electronic properties. The electrons behave ...
Nanomaterials
Jul 21, 2022
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113
A research team led by Prof. Wang Xianlong from the Hefei Institutes of Physical Science of the Chinese Academy of Sciences (CAS) has discovered a new method to improve the stability of diamane synthesized by-high pressure ...
Nanophysics
Jun 30, 2022
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137
Whether or not a solid can emit light, for instance as a light-emitting diode (LED), depends on the energy levels of the electrons in its crystalline lattice. An international team of researchers led by University of Oldenburg ...
Nanophysics
Jun 27, 2022
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168
Magic-angle twisted bilayer graphene (MATBG) is a graphene-based material with a unique structure, consisting of two graphene sheets layered on top of each other with a misalignment of approximately 1.1°. This unique structure ...
For single-atom catalysts (SACs), the catalyst supports are not only anchors for single atoms, but also modulators for geometric and electronic structures, which has an important impact on the catalytic performance. Selecting ...
Nanomaterials
Apr 20, 2022
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123
Physicists from MIPT and Skoltech have found a way to modify and purposely tune the electronic properties of carbon nanotubes to meet the requirements of novel electronic devices. The paper is published in Carbon.
Nanophysics
Feb 10, 2022
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129
