Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userMott-to-Goodenough insulator-insulator transition in LiVO$_2$
70
0
0.0
(
0
)
Authors
Alaska Subedi
Ask ChatGPT about the research
No Arabic abstract
I critically examine Goodenoughs explanation for the experimentally observed phase transition in LiVO$_2$ using microscopic calculations based on density functional and dynamical mean field theories. The high-temperature rhombohedral phase exhibits both magnetic and dynamical instabilities. Allowing a magnetic solution for the rhombohedral structure does not open an insulating gap, and an explicit treatment of the on-site Coulomb $U$ interaction is needed to stabilize an insulating rhombohedral phase. The non-spin-polarized phonon dispersions of the rhombohedral phase show two unstable phonon modes at the wave vector $(frac{1}{3},-frac{1}{3},0)$ that corresponds to the experimentally observed trimer forming instability. A full relaxation of the supercell corresponding to this instability yields a nonmagnetic state containing V$_3$ trimers. These results are consistent with Goodenoughs suggestion that the high-temperature phase is in the localized-electron regime and the transition to the low-temperature phase in the itinerant-electron regime is driven by V-V covalency.
rate research
Read More
1T-TaS$_2$ undergoes successive phase transitions upon cooling and eventually enters an insulating state of mysterious origin. Some consider this state to be a band insulator with interlayer stacking order, yet others attribute it to Mott physics that support a quantum spin liquid state.Here, we determine the electronic and structural properties of 1T-TaS$_2$ using angle-resolved photoemission spectroscopy and X-Ray diffraction. At low temperatures, the 2$pi$/2c-periodic band dispersion, along with half-integer-indexed diffraction peaks along the c axis, unambiguously indicates that the ground state of 1T-TaS$_2$ is a band insulator with interlayer dimerization. Upon heating, however, the system undergoes a transition into a Mott insulating state, which only exists in a narrow temperature window. Our results refute the idea of searching for quantum magnetism in 1T-TaS$_2$ only at low temperatures, and highlight the competition between on-site Coulomb repulsion and interlayer hopping as a crucial aspect for understanding the materials electronic properties.
Despite many efforts to rationalize the strongly correlated electronic ground states in doped Mott insulators, the nature of the doping induced insulator to metal transition is still a subject under intensive investigation. Here we probe the nanoscale electronic structure of the Mott insulator Sr$_2$IrO$_{4-delta}$ with low-temperature scanning tunneling microscopy and find enhanced local density of states (LDOS) inside the Mott gap at the location of individual apical oxygen site defects. We visualize paths of enhanced conductance arising from the overlapping of defect states which induces finite LDOS at the Fermi level. By combining these findings with the typical spatial extension of isolated defects of about 2~nm, we show that the insulator to metal transition in Sr$_2$IrO$_{4-delta}$ is of percolative nature.
We study the superfluid-insulator transition in Bose-Hubbard models in one-, two-, and three-dimensional cubic lattices by means of a recently proposed variational wave function. In one dimension, the variational results agree with the expected Berezinskii-Kosterlitz-Thouless scenario of the interaction-driven Mott transition. In two and three dimensions, we find evidences that, across the transition,most of the spectral weight is concentrated at high energies, suggestive of pre-formed Mott-Hubbard side-bands. This result is compatible with the experimental data by Stoferle et al. [Phys. Rev. Lett. 92, 130403 (2004)].
The pressure-induced insulator to metal transition (IMT) of layered magnetic nickel phosphorous tri-sulfide NiPS3 was studied in-situ under quasi-uniaxial conditions by means of electrical resistance (R) and X-ray diffraction (XRD) measurements. This sluggish transition is shown to occur at 35 GPa. Transport measurements show no evidence of superconductivity to the lowest measured temperature (~ 2 K). The structure results presented here differ from earlier in-situ work that subjected the sample to a different pressure state, suggesting that in NiPS3 the phase stability fields are highly dependent on strain. It is suggested that careful control of the strain is essential when studying the electronic and magnetic properties of layered van der Waals solids.
The temperature ($T$) dependent metal-insulator transition (MIT) in VO$_2$ is investigated using bulk sensitive hard x-ray ($sim$ 8 keV) valence band, core level, and V 2$p-3d$ resonant photoemission spectroscopy (PES). The valence band and core level spectra are compared with full-multiplet cluster model calculations including a coherent screening channel. Across the MIT, V 3$d$ spectral weight transfer from the coherent ($d^1underbar{it {C}}$ final) states at Fermi level to the incoherent ($d^{0}+d^1underbar{it {L}}$ final) states, corresponding to the lower Hubbard band, lead to gap-formation. The spectral shape changes in V 1$s$ and V 2$p$ core levels as well as the valence band are nicely reproduced from a cluster model calculations, providing electronic structure parameters. Resonant-PES finds that the $d^1underbar{it{L}}$ states resonate across the V 2$p-3d$ threshold in addition to the $d^{0}$ and $d^1underbar{it {C}}$ states. The results support a Mott-Hubbard transition picture for the first order MIT in VO$_2$.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
