Related papers: Temperature-driven structural phase transitions in…
Rare-earth nickelates RNiO3 (R=rare-earth element) exhibit three kinds of phase transitions with decreasing temperature: a structural transition from a pseudo-cubic to a monoclinic phase, a metal- insulator transition (MIT), and a magnetic…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
While most of the rare-earth nickelates exhibit a temperature-driven sharp metal-insulator transition, LaNiO$_3$ is the only exception remaining metallic down to low temperatures. Using local density approximation as an input to dynamical…
We report on a metal-insulator transition (MIT) that is observed in an electron system at the SmTiO3/SrTiO3 interface. This MIT is characterized by an abrupt transition at a critical temperature, below which the resistance changes by more…
We develop a procedure to determine the portion of exact Hartree-Fock exchange interaction contained in a hybrid density functional to treat the range of electronic correlation governing the physics of a system as a function of a…
We show that the pressure-induced metal-insulator transition (MIT) in LaMnO$_3$ is fundamentally different from the Mott-Hubbard transition and is percolative in nature, with the measured resistivity obeying the percolation scaling laws.…
Interaction between the lattice and the orbital degrees of freedom not only makes rare-earth nickelates unusually "bad metal", but also introduces a temperature driven insulator-metal phase transition. Here we investigate this…
The metal-insulator transition (MIT) of bulk rare-earth nickelates is accompanied by a simultaneous charge ordering (CO) transition. We have investigated low-frequency resistance fluctuations (noise) across the MIT and magnetic transition…
Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO3, they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition and a magnetic phase…
The recent observation of a insulator to metal transition (IMT) [I. Loa et al, PRL 87, 125501 (2001)] in pure LaMnO$_3$ at 32 GPa and room temperature, well above the Neel temperature (145 K) and below the Jahn-Teller transition temperature…
Bulk NdNiO3 exhibits a metal-to-insulator transition (MIT) as the temperature is lowered that is also seen in tensile strained films. In contrast, films that are under a large compressive strain typically remain metallic at all…
In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal-insulator transition.…
The metal to insulator transition (MIT) in Mott-Hubbard systems is one of the most important discoveries in condensed matter physics, and results in abrupt orbital transitions from the insulating to metallic phases by elevating temperature…
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…
The origin of simultaneous electronic, structural and magnetic transitions in bulk rare-earth nickelates ($RE$NiO$_3$) remains puzzling with multiple conflicting reports on the nature of these entangled phase transitions. Heterostructure…
The temperature dependence of the local structure of V_2O_3 in the vicinity of the metal to insulator transition (MIT) has been investigated using hard X-ray absorption spectroscopy. It is shown that the vanadium pair distance along the…
Metal to insulator transitions (MITs) driven by strong electronic correlations are common in condensed matter systems, and are associated with some of the most remarkable collective phenomena in solids, including superconductivity and…
Symmetry-lowering structural phase transitions result in multiple degenerate structures whose coexistence is determined by macroscopic strain compatibility. In quantum materials, these structural transformations often couple to electronic…
Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
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…