相关论文: Tunable site- and orbital-selective Mott transitio…

We report the effect of Mn site substitution of Al on the structural, magnetic and transport properties of charge ordered Pr{_0.5}Ca{_0.5}MnO{_3}. This substitution introduces impurities in the Mn-O-Mn network, causes the Mn{^3+}/Mn{^4+}…

We study metal-insulator transitions between Mott insulators and metals. The transition mechanism completely different from the original dynamical mean field theory (DMFT) emerges from a cluster extension of it. A consistent picture…

We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same…

The hexagonal 4d ruthenates Ba3MRu2O9 host structural dimers and exhibit a delicate balance of competing interactions. Hund's coupling, trigonal crystal-field splitting, and hopping for $a_{1g}$ and $e_g^\pi$ orbitals all fall within a…

We compare the interaction parameters measured on LaMnO$_3$ to single site dynamical mean field estimates of the critical correlation strength needed to drive a Mott transition, finding that the total correlation strength (electron-electron…

Metal insulator transitions driven by local Coulomb interactions are among the most fascinating phenomena in condensed matter physics. They occur in a large variety of transition metal compounds. Most of these strongly correlated materials…

We have investigated the Mn-site substitution effect in Nd$_{0.45}$Sr$_{0.55}$MnO$_3$ single crystal, which has an $A$-type layered antiferromagnetic ($A$-AFM) phase with the 3$d_{x^2-y^2}$-type orbital-order. Substitution of Fe or Ga for…

In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the…

The dimer Mott insulator $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ can be tuned into a metallic and superconducting state upon applying pressure of 1.5 kbar and more. We have performed dielectric spectroscopy measurements (7 kHz to 5 MHz) on…

We report electrical resistivity, magnetic and magnetocaloric properties in Sm0.7-xLaxSr0.3MnO3 series for x= 0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.65, and 0.7. All the compounds show second order paramagnetic to ferromagnetic transition at T…

Dynamical Mean-Field Theory (DMFT) has established itself as a reliable and well-controlled approximation to study correlation effects in bulk solids and also two-dimensional systems. In combination with standard density-functional theory…

The superconductor-to-insulator transition (SIT) induced by means such as external magnetic fields, disorder or spatial confinement is a vivid illustration of a quantum phase transition dramatically affecting the superconducting order…

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…

A band structure description of the observed large band gaps and moments in both the antiferromagnetic (AFM) and paramagnetic (PM) phases of the classic NaCl-structure Mott insulators MnO, FeO, CoO, and NiO is provided by ordinary,…

Phase transition materials such as NdNiO3 (NNO) when coupled with low damping ferromagnets such as La$_{0.67}$Sr$_{0.33}$MnO$_3$ (LSMO) can lead to new multi-functional material systems harnessing the interplay of charge, spin and orbital…

In oxide materials, nanostructuring effect has been found very promising approach for the enhancement of \textit{figure-of-merit}, \textit{ZT}. In the present work, we have synthesized La$_{0.7}$Sr$_{0.3}$MnO$_{3}$ (LSMO) compound using…

The YNiO$_3$ nickelate is a paradigm d-electron oxide that manifests the intriguing temperature-mediated sequence of three phases transitions from (i) magnetically ordered insulator to (ii) paramagnetic (PM) insulator and then to (iii) PM…

The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation + Hubbard U (LDA+U), pseudopotential self-interaction…

The low-doped magnetic perovskite La_{7/8}Sr_{1/8}MnO_3 undergoes within the paramagnetic-semiconducting phase a first-order structural transition due to antiferrodistorsive ordering of Jahn-Teller deformed MnO_6 octahedra. This allows to…

Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…