相关论文: Doping induced metal-insulator phase transition in…
In addition to Anderson and Mott localization, intrinsic phase separation has long been advocated as the third fundamental mechanism controlling the doping-driven metal-insulator transitions. In electronic system, where charge neutrality…
Recent reports reveal that isothermal chemical doping of hydrogen in correlated complex oxides such as perovskite nickelates (e.g. NdNiO3) can induce a metal-to-insulator transition (MIT) without the need for temperature modulation. In this…
While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…
We investigate the metal insulator transitions at finite temperature for the Hubbard model with diagonal alloy disorder. We solve the dynamical mean field theory equations with the non crossing approximation and we use the coherent…
We present a method for calculating the spectrum of extended solids within reduced density matrix functional theory. An application of this method to the strongly correlated transition metal oxide series demonstrates that (i) an insulating…
We have studied the critical behaviour of a doped Mott insulator near the metal-insulator transition for the infinite-dimensional Hubbard model using a linearized form of dynamical mean-field theory. The discontinuity in the chemical…
Heavily oxygen deficient NdNiO$_3$ (NNO) films, which are insulating due to electron localization, contain pristine regions that undergo a hidden metal-insulator transition. Increasing oxygen content increases the connectivity of the…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
We synthesized crystalline films of neodymium nickel oxide (NdNiO3), a perovskite quantum material, switched the films from a metal phase (intrinsic) into an insulator phase (electron-doped) by field-driven lithium-ion intercalation, and…
Density functional theory is used to systematically study the electronic and magnetic properties of doped MoS$_2$ monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional…
Polycrystalline Nd$_{1-x}$Eu$_{x}$NiO$_3$ ($0 \leq x \leq 0.5$) compounds were synthesized in order to investigate the character of the metal-insulator (MI) phase transition in this series. Samples were prepared through the sol-gel route…
We study the doping-driven Mott metal-insulator transition for multi-orbital Hubbard models with Hund's exchange coupling at finite temperatures. As in the single-orbital Hubbard model, the transition is of first-order within dynamical mean…
We apply ultrafast spectroscopy to establish a time-domain hierarchy between structural and electronic effects in a strongly-correlated electron system. We discuss the case of the model system VO2, a prototypical non-magnetic compound that…
Nickel oxide, in particular in its doped, semiconducting form, is an important component of several optoelectronic devices. Doping NiO is commonly achieved either by incorporation of lithium, which readily occupies Ni sites…
The room temperature (300 K) electronic structure of pulsed laser deposited LaNi_{x}V_{1-x}O_{3} thin films have been demonstrated. The substitution of early-transition metal (TM) V in LaVO_{3} thin films with late-TM Ni leads to the…
We report modulation of a reversible phase transition in VO2 films by hydrogen doping. A metallic phase and a new insulating phase are successively observed at room temperature as the doping concentration increases. It is suggested that the…
Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no…
The distorted phases of monolayer 1T-MoS$_2$ have distinct electronic properties, with potential applications in optoelectronics, catalysis, and batteries. We theoretically investigate the use of Ni-doping to generate distorted 1T phases,…
The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Using density functional theory, we systematically…
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…