Browsing by Author "Tiwari, Rajarshi"
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Cr doping induced negative transverse magnetoresistance in C d3 A s2 thin films
Sanvito, Stefano; Tiwari, Rajarshi (2018) 
Machine learning density functional theory for the Hubbard model
Sanvito, Stefano; Tiwari, Rajarshi (2019)The solution of complex manybody 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 spinresolved site occupation is ... 
Machinelearning semilocal density functional theory for manybody lattice models at zero and finite temperature
Tiwari, Rajarshi; Sanvito, Stefano (2021)We introduce a machinelearning densityfunctionaltheory formalism for the spinless Hubbard model in one dimension at both zero and finite temperature. In the zerotemperature case this establishes a onetoone ... 
MottHubbard transition and spinliquid state on the pyrochlore lattice
Tiwari, Rajarshi (2016)The pyrochlore lattice involves cornersharing tetrahedra and the resulting geometric frustration is believed to suppress any antiferromagnetic order for Mott insulators on this structure. There are nevertheless shortrange ... 
NONCOLLINEAR MAGNETIC ORDER IN THE DOUBLE PEROVSKITES: DOUBLE EXCHANGE ON A GEOMETRICALLY FRUSTRATED LATTICE
Tiwari, Rajarshi (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
Tiwari, Rajarshi (2020)We study orbital Mott transition in two dimensional pyrochlore lattice, using a two orbital Hubbard model with only interorbital electronic hopping. We use a real space Monte Carlo based approach to study the model at ... 
Reactivity of transitionmetal alloys to oxygen and sulfur
Tiwari, Rajarshi; Sanvito, Stefano (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
Tiwari, Rajarshi (2014)We use a new Monte Carlo method to study the Mott transition on the anisotropictriangularlattice Hubbard model. Our real space approach accurately treats the emergence of nontrivial magnetic correlation in this frustrated ... 
Visualizing the Mott transition
Tiwari, Rajarshi (2012)Correlated electronic systems involve strong shortrange repulsion. At integer filling, the primary effect of correlation is the emergence of an insulating state where band theory predicts a metal. Understanding the ...