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http://dx.doi.org/10.1103/physrevb.49.6927 | DOI Listing |
Nat Commun
January 2025
NYU-ECNU Institute of Physics, NYU Shanghai, Shanghai, China.
The discovery of high-temperature superconductivity in LaNiO under pressure has drawn great attention. However, consensus has not been reached on its pairing symmetry in theory. By combining density-functional-theory (DFT), maximally-localized-Wannier-function, and linearized gap equation with random-phase-approximation, we find that the pairing symmetry of LaNiO is d, if its DFT band structure is accurately reproduced by a downfolded bilayer two-orbital model.
View Article and Find Full Text PDFJ Phys Condens Matter
January 2025
Institute for Southeast Regional Development Studies, Thu Dau Mot University, Thu Dau Mot City, Binh Duong Province, Vietnam.
Density functional theory (DFT) combined with the Viennasimulation package (VASP) was used to investigate the electronic, magnetic, and optical properties of one-dimensional stanene nanoribbons (SnNRs) and Na, Mg, and Al-adsorbed SnNRs. The SnNRs, with a width of 10 Sn atoms and hydrogen-passivated edges, retained their hexagonal honeycomb structure after structural optimization. Both pristine and adsorbed SnNRs exhibit narrow band gap semiconducting behavior, with pristine SnNRs being non-magnetic and adsorbed SnNRs showing non-zero magnetic moments.
View Article and Find Full Text PDFNat Commun
October 2024
Université Paris-Saclay, CNRS, Laboratoire de Physique des Solides, Orsay, France.
Understanding the interplay between individual magnetic impurities and superconductivity is crucial for bottom-up construction of novel phases of matter. Sub-gap bound states that are used in this endeavor are typically considered as independent entities that each result from the exchange scattering between the respective impurity orbitals and electrons of the superconducting condensate. Here we present experimental evidence of individual multi-spin impurities where the sub-gap states are not independent.
View Article and Find Full Text PDFJ Phys Condens Matter
September 2024
Institute for Southeast Regional Development Studies, Thu Dau Mot University, Thu Dau Mot city, Binh Duong province, Vietnam.
One-dimensional systems are nanostructures of significant interest in research due to their numerous potential applications. This study focuses on the investigation of one-dimensional boron-germanene nanoribbons (BGeNRs) and BGeNRs doped with Be, Mg, and Ti. Density functional theory combined with the Vienna Ab initio Simulation Package forms the foundation of this research.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2024
Laboratory of Condensed Matter and Interdisciplinary Sciences (LaMCScI), Faculty of Sciences, Mohammed V University of Rabat, BP 1014, RP Rabat, Morocco.
This study presents a theoretical examination of the electronic band structure of AA (AB) stacked bilayer blue phosphorus system within the fifth intralayer (5NN) and second interlayer nearest-neighbor (2NN) multi-orbital tight-binding (MOTB) approach. The variation of energy levels has been investigated through the symmetrical tensile strain of the low-buckled honeycomb lattice. Here, the primary objective is to examine the existence of Dirac electronic features in hexagonal stacked bilayer geometry.
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