The quantum tunneling in subnanometer gap sizes in gold dimers is studied in order to account for the dependency of the onset of quantum tunneling on the dimer's radius and accordingly the gap wall's curvature, realized in experiments. Several nanodimers both nanowires and nanospheres with various radii and gap sizes are modelled and simulated based on the quantum corrected model, determining the onset of the quantum tunneling. Results show that the onset of quantum tunneling is both dependent on the gap size as well as on the dimer's radius. As larger dimers result in larger effective conductivity volumes, the influence of the quantum tunneling begins in larger gap sizes in larger dimers.
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http://dx.doi.org/10.1364/OE.500611 | DOI Listing |
Phys Chem Chem Phys
January 2025
Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, Illinois 60439, USA.
Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications.
View Article and Find Full Text PDFNano Lett
January 2025
Department of Quantum Matter Physics, University of Geneva, 24, Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
Tunable electronic properties in transition metal dichalcogenides (TMDs) are essential to further their use in device applications. Here, we present a comprehensive scanning tunneling microscopy and spectroscopy study of a doping-induced charge density wave (CDW) in semiconducting bulk 1T-ZrSe. We find that atomic impurities that locally shift the Fermi level () into the conduction band trigger a CDW reconstruction concomitantly to the opening of a gap at .
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, New York University, New York, New York 10003, USA.
The water trimer, as the smallest water cluster in which the three-body interactions can manifest, is arguably the most important hydrogen-bonded trimer. Accurate, fully coupled quantum treatment of its excited intermolecular vibrations has long been an elusive goal. Here, we present the methodology that for the first time allows rigorous twelve-dimensional (12D) quantum calculation of the intermolecular vibration-tunneling eigenstates of the water trimer, with the monomers treated as rigid.
View Article and Find Full Text PDFAdv Mater
January 2025
State Key Laboratory for Manufacturing Systems Engineering, Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education, School of Electronic Science and Engineering, Xi'an Jiaotong University, Xi'an, 710049, China.
Large low-field magnetoresistance (LFMR, < 1 T), related to the spin-disorder scattering or spin-polarized tunneling at boundaries of polycrystalline manganates, holds considerable promise for the development of low-power and ultrafast magnetic devices. However, achieving significant LFMR typically necessitates extremely low temperatures due to diminishing spin polarization as temperature rises. To address this challenge, one strategy involves incorporating Ruddlesden-Popper structures (ABO):AO, which are layered derivatives of perovskite structure capable of potentially inducing heightened magnetic fluctuations at higher temperatures.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division (PSE), Thuwal 23955-6900, Saudi Arabia.
Employing density functional theory for ground state quantum mechanical calculations and the non-equilibrium Green's function method for transport calculations, we investigate the potential of CdS, ZnS, CdZnS, and ZnCdS as tunnel barriers in magnetic tunnel junctions for spintronics. Based on the finding that the valence band edges of these semiconductors are dominated by p orbitals and the conduction band edges by s orbitals, we show that symmetry filtering of the Bloch states in magnetic tunnel junctions with Fe electrodes results in high tunneling magnetoresistances and high spin-polarized current (up to two orders of magnitude higher than in the case of the Fe/MgO/Fe magnetic tunnel junction).
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