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Self-consistent electron density with shell structure using neural network-based Pauli potential.
J Chem Phys
January 2025
Theoretical and Computational Physics Section, Raja Ramanna Centre for Advanced Technology, Indore 452013, India.
The orbital-free density functional theory (OF-DFT) based method is a convenient tool to carry out electronic structure calculations scaling almost linearly with the number of electrons. However, the main impediment in the application of this method is the unavailability of the accurate form for the non-interacting kinetic energy functional in terms of electron density. The Pauli kinetic energy functional is the unknown part of the kinetic energy functional, and the corresponding Pauli potential appears in the governing Euler equation.
View Article and Find Full Text PDFModification of Premises for the Black Hole Information Paradox Caused by Topological Constraints in the Event Horizon Vicinity.
Entropy (Basel)
November 2024
Institute of Theoretical Physics, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland.
We demonstrate that at the rim of the photon sphere of a black hole, the quantum statistics transition takes place in any multi-particle system of indistinguishable particles, which passes through this rim to the inside. The related local departure from Pauli exclusion principle restriction causes a decay of the internal structure of collective fermionic systems, including the collapse of Fermi spheres in compressed matter. The Fermi sphere decay is associated with the emission of electromagnetic radiation, taking away the energy and entropy of the falling matter without unitarity violation.
View Article and Find Full Text PDFTwofold Anisotropic Superconductivity in Bilayer T_{d}-MoTe_{2}.
Phys Rev Lett
November 2024
Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA.
Article Synopsis
- Noncentrosymmetric two-dimensional superconductors like few-layer T_{d}-MoTe_{2} exhibit unique superconducting properties, including upper critical fields exceeding the Pauli limit by up to 600%.
- The enhancement of these properties is still debated, with theories suggesting influences from either spin-orbit parity coupling or tilted Ising spin-orbit coupling.
- In bilayer T_{d}-MoTe_{2}, experiments show superconductivity has a twofold symmetry influenced by magnetic and electric fields, and findings support tilted Ising spin-orbit coupling as the main mechanism.
Spectroscopic signatures and origin of hidden order in BaMgReO.
Nat Commun
November 2024
Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland.
Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and phenomena. While transitions are often classified as electronically driven or lattice-driven, we present a departure from this conventional picture in the case of the double perovskite BaMgReO. Leveraging resonant and non-resonant elastic x-ray scattering techniques, we unveil the simultaneous ordering of structural distortions and charge quadrupoles at a critical temperature of T ~ 33 K.
View Article and Find Full Text PDFPreparation, Crystal Structure, and Properties of the Kagome Metal ThVSn.
Inorg Chem
December 2024
School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China.
Kagome lattice materials are anticipated to exhibit unique properties stemming from the intricate interplay among geometry, magnetism, electronic correlation, and band topology. Here, we report a new ternary compound, ThVSn, which contains double-layer kagome networks composed of vanadium atoms. The compound crystallizes in an HfFeGe-type structure with cell parameters of = = 5.
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