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Theoretical study of Li intercalation in TiO2(B) surfaces
(Elsevier Science, 2020-05-05)
TiO2(B) has potential as an anode material for Li-ion batteries. Although theoretical and experimental studies related to the intercalation of Lithium (Li) in TiO2(B) already exist, to the best of our knowledge there are ...
Hole statistics and superfluid phases in quantum dimer models
(American Physical Society, 2012-10)
Quantum dimer models (QDMs) arise as low-energy effective models for frustrated magnets. Some of these models have proven successful in generating a scenario for exotic spin liquid phases with deconfined spinons. Doping, ...
The Missing Link in the Magnetism of Hybrid Cobalt Layered Hydroxides: The Odd‐Even Effect of the Organic Spacer
(Wiley VCH Verlag, 2020-08)
A dramatic change in the magnetic behaviour, which solely depends on the parity of the organic linker molecules, has been found in a family of layered CoII hydroxides covalently functionalized with dicarboxylic molecules. ...
Energy barriers between metastable states in first-order quantum phase transitions
(American Physical Society, 2018-02-05)
A system of neutral atoms trapped in an optical lattice and dispersively coupled to the field of an optical cavity can realize a variation of the Bose-Hubbard model with infinite-range interactions. This model exhibits a ...
A simple scheme for finding magnetic aromatic hydrocarbon molecules
(Royal Society of Chemistry, 2020-02-21)
Polycyclic aromatic hydrocarbon (PAH) molecules such as quasi-unidimensional oligo-acene and fused azulene display interesting properties for increasing chain length. However, these molecules can be hard to explore ...
Spectral evolution of the SU(4) Kondo effect from the single impurity to the two-dimensional limit
(American Physical Society, 2014-03)
We describe the evolution of the SU(4) Kondo effect as the number of magnetic centers increases from one impurity to the two-dimensional (2D) lattice. We derive a Hubbard-Anderson model which describes a 2D array of atoms ...
Effect of an external electric field on local magnetic moments in silicene
(Elsevier Science, 2021-04)
In this work we analyze the effects of the application of an external electric field in the formation of a local magnetic moment in silicene. By adding an impurity in a top site in the host lattice and computing the real ...
Theoretical study on the electronic and catalytic properties of Fe-doped TiO2 and its use in the removal of arsenic
(Universidad Nacional del Litoral, 2019)
Arsenic (As) is atoxic element that can be fatal to humans. In the environment, it exists indifferent oxidation states (-III, 0, + III and + V). However, in natural water,the As is mainly found in inorganic form forming ...
Spin and orbital ordering in bilayer Sr3Cr2 O7
(American Physical Society, 2019-05)
Using maximally localized Wannier functions obtained from density functional theory calculations, we derive an effective Hubbard Hamiltonian for a bilayer of Sr3Cr2O7, the n=2 member of the Ruddlesden-Popper Srn+1CrnO3n+1 ...
The nymph of Tortopus harrisi Traver (Ephemeroptera: Polymitarcyidae)
(Magnolia Press, 2010-04)
Polymitarcyidae is a family of burrowing mayflies (Ephemeroptera: Ephemeroidea) distributed throughout the world but with highest diversity in the Neotropics. Tortopus Needham & Murphy, with a Panamerican distribution, is ...