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Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods
The magnetic properties of the transition metal monoxides MnO and NiO are investigated at equilibrium and under pressure via several advanced first-principles methods coupled with HeisenbergExpand
Machine learning density functional theory for the Hubbard model
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 theExpand
Spectroscopic signatures of the Mott transition on the anisotropic triangular lattice
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 magneticExpand
Non-collinear Magnetic Order in the Double Perovskites: Double Exchange on a Geometrically Frustrated Lattice
Double perovskites of the form A_2BB'O_6 usually involve a transition metal ion, B, with a large magnetic moment, and a non magnetic ion B'. While many double perovskites are ferromagnetic, studiesExpand
Mott Transition and Glassiness in the Face Centered Cubic Lattice
We study the half-filled Hubbard model on the geometrically frustrated face centered cubic (FCC) lattice, using an auxiliary field based real space technique. The low temperature state is aExpand
Visualizing the Mott transition
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.Expand
Reactivity of transition-metal alloys to oxygen and sulphur
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 thatExpand
Machine-learning semilocal density functional theory for many-body lattice models at zero and finite temperature
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 establishesExpand
The Crossover from a Bad Metal to a Frustrated Mott Insulator
We use a novel Monte Carlo method to study the Mott transition in an anisotropic triangular lattice. The real space approach, retaining extended spatial correlations, allows an accurate treatment ofExpand
PHYSICAL REVIEW B 97, 085303 (2018) Cr doping induced negative transverse magnetoresistance in Cd3As2 thin films
Yanwen Liu,1,2 Rajarshi Tiwari,3 Awadhesh Narayan,3,4,5 Zhao Jin,6 Xiang Yuan,1,2 Cheng Zhang,1,2 Feng Chen,1,2 Liang Li,6 Zhengcai Xia,6 Stefano Sanvito,3,* Peng Zhou,8,† and Faxian Xiu1,2,7,‡Expand