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Incorporating Machine Learning (ML) into material property prediction has become a crucial step in accelerating materials discovery. A key challenge is the severe lack of training data, as many properties are too complicated to calculate…
We present a detailed account of the physics of Vanadium sesquioxide (${\rm V_2O_3}$), a benchmark system for studying correlation induced metal-insulator transition(s). Based on a detailed perusal of a wide range of experimental data, we…
Prediction of critical temperature $(T_c)$ of a superconductor remains a significant challenge in condensed matter physics. While the BCS theory explains superconductivity in conventional superconductors, there is no framework to predict…
The Mott transistor is a paradigm for a new class of electronic devices---often referred to by the term Mottronics---, which are based on charge correlations between the electrons. Since correlation-induced insulating phases of most oxide…
Thermodynamic and dynamical properties of filling-control metal-insulator transition (MIT) in the Hubbard model are studied by the operator projection method, especially in two dimensions. This is a non-perturbative analytic approach to…
We exhibit an interaction-driven metal-insulator quantum phase transition in a holographic model. Use of a helical lattice enables us to break translation invariance while preserving homogeneity. The metallic phase is characterized by a…
We investigated the interdependence of the effects of disorder and carrier correlations on the metal-insulator transition in two-dimensional electronic systems. We present a quantitative metal-insulator phase diagram. Depending on the…
Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…
Recently the memristive electrical transport properties in NbO$_2$ have attracted much attention for their promising application to the neuromorphic computation. At the center of debates is whether the metal-to-insulator transition (MIT)…
The use of transition group metals in electric batteries requires extensive usage of critical elements like lithium, cobalt and nickel, which poses significant environmental challenges. Replacing these metals with redox-active organic…
Rare-earth nickelates exhibit a remarkable metal-insulator transition accompanied by a structural transition associated with a lattice `breathing' mode. Using model considerations and first-principles calculations, we present a theory of…
Electronic structures of the filled-skutterudite compounds PrRu$_4$P$_{12}$ and SmRu$_4$P$_{12}$, which undergo a metal-insulator transition (MIT) at $T_{\rm MI}$ = 60 K and 16 K, respectively, have been studied by means of optical…
We introduce a new version of the database SC1MC (SC1MC-2022), obtained by extension of the recent SC1MC-2020, which includes artificial mono transition metal complexes. The database involves reference data used as inputs for training of…
(abridged) We present results of the disorder-induced metal-insulator-transition (MIT) in three-dimensional amorphous indium-oxide films. The amorphous version studied here differs from the one reported earlier [PRB 46, 10917 (1992)] in…
The insulator-to-metal transition (IMT) of the simple binary compound of vanadium dioxide VO$_2$ at $\sim 340$ K has been puzzling since its discovery more than five decades ago. A wide variety of photon and electron probes have been…
The correlation-driven Mott transition is commonly characterized by a drop in resistivity across the insulator-metal phase boundary; yet, the complex permittivity provides a deeper insight into the microscopic nature. We investigate the…
In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…
A powerful new impurity solver is shown to permit a systematic study of the doping driven Mott transition in a one-band Hubbard model within the framework of single-site dynamical mean field theory. At small dopings and large interaction…
Artificially created two-dimensional (2D) interfaces or structures are ideal for seeking exotic phase transitions due to their highly tunable carrier density and interfacially enhanced many-body interactions. Here, we report the discovery…
We investigate paramagnetic metal-insulator transitions in the infinite-dimensional ionic Hubbard model at finite temperatures. By means of the dynamical mean-field theory with an impurity solver of the continuous-time quantum Monte Carlo…