Browsing by Author "Tiwari, Rajarshi"
Now showing items 1-9 of 9
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Machine learning density functional theory for the Hubbard model
(2019)The solution of complex many-body lattice models can often be found by defining an energy functional of the relevant density of the problem. For instance, in the case of the Hubbard model the spin-resolved site occupation is ... -
Machine-learning semilocal density functional theory for many-body lattice models at zero and finite temperature
(2021)We introduce a machine-learning density-functional-theory formalism for the spinless Hubbard model in one dimension at both zero and finite temperature. In the zero-temperature case this establishes a one-to-one ... -
Mott-Hubbard transition and spin-liquid state on the pyrochlore lattice
(2016)The pyrochlore lattice involves corner-sharing tetrahedra and the resulting geometric frustration is believed to suppress any antiferromagnetic order for Mott insulators on this structure. There are nevertheless short-range ... -
NONCOLLINEAR MAGNETIC ORDER IN THE DOUBLE PEROVSKITES: DOUBLE EXCHANGE ON A GEOMETRICALLY FRUSTRATED LATTICE
(2013)Double perovskites (DPs) of the form A2BB′ O6 usually involve a transition metal ion, B, with a large magnetic moment, and a nonmagnetic ion B′. While many DPs are ferromagnetic, studies on the underlying model reveal the ... -
Orbital Mott transition in two dimensional pyrochlore lattice
(2020)We study orbital Mott transition in two dimensional pyrochlore lattice, using a two orbital Hubbard model with only inter-orbital electronic hopping. We use a real space Monte Carlo based approach to study the model at ... -
Reactivity of transition-metal alloys to oxygen and sulfur
(2021)Oxidation and tarnishing are the two most common initial steps in the corrosive process of metals at ambient conditions. These are always initiated with O and S binding to a metallic surface, so that one can use the ... -
Spectroscopic signatures of the Mott transition on the anisotropic triangular lattice
(2014)We use a new Monte Carlo method to study the Mott transition on the anisotropic-triangular-lattice Hubbard model. Our real space approach accurately treats the emergence of non-trivial magnetic correlation in this frustrated ... -
Visualizing the Mott transition
(2012)Correlated electronic systems involve strong short-range repulsion. At integer filling, the primary effect of correlation is the emergence of an insulating state where band theory predicts a metal. Understanding the ...
