The ground states of the general three-state lattice-gas (equivalently, S = 1 Ising) model with nearest-neighbor interactions on a square lattice are explored in the full, five-dimensional parameter space of three interaction constants and two generalized chemical potentials or fields. The complete catalog of fifteen topologically different ground-state diagrams (zero-temperature phase diagrams), which show the regions of stability of the different ground states in the full parameter space of the model, is obtained and discussed in both lattice-gas and Ising-spin language. The results extend those of a recent study in a reduced parameter space [V. F. Fefelov, et al., Phys. Chem. Chem. Phys., 2018, 20, 10359-10368], which identified six topologically different ground-state diagrams.
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http://dx.doi.org/10.1039/c8cp07721e | DOI Listing |
Phys Rev Lett
December 2024
Kavli Institute for Theoretical Sciences, University of Chinese Academy of Sciences, Beijing 100190, China.
Recently, robust d-wave superconductive (SC) order has been unveiled in the ground state of the 2D t-t^{'}-J model-with both nearest-neighbor (t) and next-nearest-neighbor (t^{'}) hoppings-by density matrix renormalization group studies. However, there is currently a debate on whether the d-wave SC holds up strong on both t^{'}/t>0 and t^{'}/t<0 cases for the t-t^{'}-J model, which correspond to the electron- and hole-doped sides of the cuprate phase diagram, respectively. Here, we exploit state-of-the-art thermal tensor network approach to accurately obtain the phase diagram of the t-t^{'}-J model on cylinders with widths up to W=6 and down to low temperature as T/J≃0.
View Article and Find Full Text PDFSci Rep
December 2024
Mathematical Sciences Institute, Australian National University, Canberra, ACT, 2601, Australia.
In this study, we delve into the intricate ground state phase diagram of anisotropic spin-1/2 XXZ chains under the uniform Gamma interaction. Employing the robust infinite time evolving block decimation (iTEBD) technique and the Lanczos technique, we meticulously obtain the model's ground state properties. Complementing our numerical analysis, we derive analytical approximations through a mean-field framework, transposed into the fermionic representation.
View Article and Find Full Text PDFPhys Rev E
September 2024
Laboratory of Theoretical Physics, Yerevan State University, 1 Alex Manoogian Street, 0025 Yerevan, Armenia and CANDLE, Synchrotron Research Institute, 31 Acharyan Street, 0040 Yerevan, Armenia.
Mixed spin-(1/2,1/2,1) trimer with two different Landé g factors and two different exchange couplings is considered. The main feature of the model is nonconserving magnetization. The Hamiltonian of the system is diagonalized analytically.
View Article and Find Full Text PDFInt J Mol Sci
September 2024
National Institute for Research and Development of Isotopic and Molecular Technologies, Donat Street, No. 67-103, RO-400283 Cluj-Napoca, Romania.
Continuing the investigation started for dopamine (DA) and dopamine-o-quinone (DoQ) (see, the light absorption and charge transfer properties of the dopamine zwitterion (called dopamine-semiquinone or DsQ) adsorbed on the graphene nanoparticle surface is investigated using the ground state and linear-response time-dependent density functional theories, considering the ωB97X-D3BJ/def2-TZVPP level of theory. In terms of the strength of molecular adsorption on the surface, the DsQ form has 50% higher binding energy than that found in our previous work for the DA or DoQ cases (-20.24 kcal/mol vs.
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