The physics of high-Tc superconducting cuprates is obscured by the effect of strong electronic correlations. One way to overcome this problem is to seek an exact solution at least within a small cluster and expand it to the whole crystal. Such an approach is at the heart of cluster perturbation theory (CPT). Here, we developed CPT for the dynamic spin and charge susceptibilities (spin-CPT and charge-CPT), with the correlation effects explicitly taken into account by the exact diagonalization. We applied spin-CPT and charge-CPT to the effective two-band Hubbard model for the cuprates obtained from the three-band Emery model and calculated one- and two-particle correlation functions, namely, a spectral function and spin and charge susceptibilities. The doping dependence of the spin susceptibility was studied within spin-CPT and CPT-RPA, that is, the CPT generalization of the random phase approximation (RPA). In the underdoped region, both our methods resulted in the signatures of the upper branch of the spin excitation dispersion with the lowest excitation energy at the (π,π) wave vector and no presence of low-energy incommensurate excitations. In the high doping region, both methods produced a low energy response at four incommensurate wave vectors in qualitative agreement with the results of the inelastic neutron scattering experiments on overdoped cuprates.
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http://dx.doi.org/10.3390/ma16134640 | DOI Listing |
Phys Rev E
November 2024
Theory Division, Saha Institute of Nuclear Physics, Homi Bhabha National Institute, 1/AF Bidhannagar, Calcutta 700064, West Bengal, India.
We explore how the interplay of finite availability, carrying capacity of particles at different parts of a spatially extended system, and particle diffusion between them control the steady-state currents and density profiles in a one-dimensional current-carrying channel connecting the different parts of the system. To study this, we construct a minimal model consisting of two particle reservoirs of finite carrying capacities connected by a totally asymmetric simple exclusion process (TASEP). In addition to particle transport via TASEP between the reservoirs, the latter can also directly exchange particles via Langmuir kinetics-like processes, modeling particle diffusion between them that can maintain a steady current in the system.
View Article and Find Full Text PDFStem Cell Res Ther
December 2024
Center for Precision Environmental Health, Baylor College of Medicine, One Baylor Plaza, Houston, TX, USA.
J Phys Chem B
December 2024
Department of Chemistry and Biochemistry, City College of New York/CUNY, 160 Convent Avenue, New York, New York 10031, United States.
Hydronium (HO) and hydroxide (OH) ions perform structural diffusion in water via sequential proton transfers ("Grotthuss hopping"). This phenomenon can be accounted for by interspersing stochastic proton transfer events in classical molecular dynamics simulations. The implementation of OH-mediated proton hopping is particularly challenging because classical force fields are known to produce overcoordinated solvation structures around the OH ion.
View Article and Find Full Text PDFPhys Rev Lett
November 2024
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
J Phys Condens Matter
November 2024
Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-688 Warsaw, Poland.
The local density of states (LDOS) for a pair of non-relativistic electrons, influenced by repulsive Coulomb forces, is expressed in term of one-dimensional integrals over Whittaker functions. The computation of the electron pair's LDOS relies on a two-particle Green's function (GF), a generalization of the one-particle GF applicable to a charged particle in an attractive Coulomb potential. By incorporating electron spins and considering the Pauli exclusion principle, the resulting LDOS consists of two components: one originating from an exchange-even two-particle GF and the other from an exchange-odd two-particle GF.
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