相关论文: Structural and electronic transformations in TiO2 …

Combining quasistatic and time-resolved transport measurements with X-ray and neutron diffraction experiments we study the non-equilibrium states that arise in pure and in Ti substituted Ca$_2$RuO$_4$ under the application of current…

We demonstrate a novel approach to the structural and electronic property modification of perovskites, focusing on Pr$_2$CuO$_4$, an undoped parent compound of a class of electron-doped copper-oxide superconductors. Currents were passed…

Rutile CrO2 is the most important half-metallic material with nearly 100% spin polarization at the Fermi level, and rutile TiO2 is a wide-gap semiconductor with many applications. Here we show through first-principles investigation that a…

Nonequilibrium systems driven by external energy sources host unexplored physics; yet phase transitions beyond thermal equilibrium remain elusive. Here, we demonstrate that electric current induces structural phase transitions in…

VO2 features concomitant structural and metal-insulator transitions. This poses a challenge for understanding the underlying mechanism: is the transition triggered by a structural or by an electronic instability? The two scenarios are…

Using first principles density functional theory calculations, we show a semimetal to semiconducting electronic phase transition for bulk TiS 2 by applying uniform biaxial tensile strain. This electronic phase transition is triggered by…

Direct imaging and quantification of actuation in nanostructures that undergo structural phase transitions could advance our understanding of collective phenomena in the solid state. Here, we demonstrate visualization of structural phase…

Vanadium dioxide with metal-to-insulator transition (MIT) that is triggered by heat, current or light is a promising material for modern active THz/mid-IR metasurfaces and all-optical big data processing systems. Multilayer VO2-based active…

Rectifying semiconductor junctions are crucial to electronic devices. They convert alternating current into direct one by allowing unidirectional charge flows. In analogy to the current-flow rectification for itinerary electrons, here, a…

Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a…

The behavior of electrons in the conduction band of TiO2 and other transition-metal oxides is key to the many applications of these materials. Experiments seem to produce conflicting results: optical and spin-resonance techniques reveal…

We performed a Raman scattering study of Na$_2$Ti$_2$As$_2$O. We identified a symmetry breaking structural transition at around $T_s = 150$ K, which matches a large bump in the electrical resistivity. Several new peaks are detected below…

The ability to manipulate spins in magnetic materials is essential in designing spintronics devices. One method for magnetic switching is through strain. In VO2 on TiO2 thin films, while VO2 remains rutile across the metal-insulator…

The dynamics of electrons, spins and phonons induced by optical femtosecond pulses has been simulated for the polaronic crystal $\rm{Pr_{1/2}Ca_{1/2}MnO_3}$. The model used for the simulation has been derived from first-principles…

The microscopic doping mechanism behind the superconductor-to-insulator transition of a thin film of YBa2Cu3O7 was recently identified as due to the migration of O atoms from the CuO chains of the film. Here we employ density-functional…

Vanadium dioxide (VO2) exhibits an insulator-to-metal transition accompanied by a structural transition near room temperature. This transition can be triggered by an ultrafast laser pulse. Exotic transient states, such as a metallic state…

In this paper, I demonstrate a density functional theory plus dynamical mean field theory study on the electronic properties of doped $TiO_2$ rutile as well as another tetragonal phase anatase with oxygen vacancy. The density of states and…

We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of candidate structures, we determined the low-temperature phase…

We investigated nonlinear conduction in bulk single crystals of VO2 with precise temperature control. Two distinct nonequilibrium phenomena were identified: a gradual reduction of the charge gap and a current-induced insulator-metal…

We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbation Theory techniques. The consistent treatment of…