相关论文: Polaron transport and Verwey transition in magneti…
The Verwey transition in magnetite (Fe$_3$O$_4$) is the first metal-insulator transition ever observed and involves a concomitant structural rearrangement and charge-orbital ordering. Due to the complex interplay of these intertwined…
We have studied the electronic structure and charge ordering (Verwey) transition of magnetite (Fe3O4) by soft x-ray photoemission. Due to the enhanced probing depth and the use of different surface preparations we are able to distinguish…
We present a tunnel spectroscopy study of the electronic spectrum of single magnetite \chemform{Fe_3O_4} nanoparticles trapped between nanometer-spaced electrodes. The Verwey transition is clearly identified in the current…
The first known magnetic mineral, magnetite (Fe$_3$O$_4$), has unusual properties which have fascinated mankind for centuries; it undergoes the Verwey transition at $T_{\rm V}$ $\sim$120 K with an abrupt change in structure and electrical…
The complex conductivity at the (Verwey) metal-insulator transition in Fe_3O_4 has been investigated at THz and infrared frequencies. In the insulating state, both the dynamic conductivity and the dielectric constant reveal a power-law…
We present a minimal model of charge transport in hybrid perovskites, which provides an intuitive explanation for the recently proposed formation of ferroelectric large polarons. We demonstrate that short-ranged charge--rotor interactions…
A new mechanism of the Verway transition in magnetite (Fe3O4), which has been argued to be a charge ordering transition so far, is proposed. Based on the mean field calculations for the three band model of spinless fermions appropriate for…
Magnetite, Fe$_3$O$_4$, is the first magnetic material discovered and utilized by mankind in Ancient Greece, yet it still attracts attention due to its puzzling properties. This is largely due to the quest for a full and coherent…
Understanding the driving mechanisms behind metal-insulator transitions (MITs) is a critical step towards controlling material's properties. Since the proposal of charge-order-induced MIT in magnetite Fe3O4 in 1939 by Verwey, the nature of…
Motivated by recent structural data questioning the adequacy of the charge order (CO)/disorder picture for the Verwey transition (at T=T_V) in magnetite, we re-investigate this issue within a new theoretical picture. Using the…
We present a small-but-sizeable magnetic polaron picture where transport at high temperatures is activated while at low temperatures it is band-like. We show that both double exchange and finite bandwidth effects are important to understand…
Using density functional theory, we study the lattice dynamical properties of magnetite (Fe$_3$O$_4$) in the high-temperature cubic and low-temperature monoclinic phases. The calculated phonon dispersion curves and phonon density of states…
Elucidating transport mechanisms and predicting transport coefficients is crucial for advancing material innovation, design, and application. Yet, state-of-the-art calculations are restricted to exact simulations of small lattices with…
Magnetite (Fe$_{3}$O$_{4}$), an archetypal transition metal oxide, has been used for thousands of years, from lodestones in primitive compasses[1] to a candidate material for magnetoelectronic devices.[2] In 1939 Verwey[3] found that bulk…
By combining {\it ab initio} results for the electronic structure and phonon spectrum with the group theory, we establish the origin of the Verwey transition in Fe$_3$O$_4$. Two primary order parameters with $X_3$ and $\Delta_5$ symmetries…
A two-site double exchange model with a single polaron is studied using a perturbation expansion based on the modified Lang-Firsov transformation. The antiferromagnetic to ferromagnetic transition and the crossover from small to large…
Seeking to unravel the enigmatic Verwey transition and its interplay with magnetism, we have conducted comprehensive measurements on the temperature-dependent electrical resistivity and magnetic moment of stoichiometric and doped-magnetite…
Based on the model combining the spin double exchange and the lattice polaron, we have studied the colossal magnetoresistance phenomena observed in perovskite manganites R_{1-x}A_xMnO_3. First, effects of both the double exchange and the…
Transition metal oxides such as \ce{BiVO4} are promising materials as photoelectrodes in solar-to-fuel conversion applications. However, their performance is limited by the low carrier mobility (especially electron mobility) due to the…
Exact diagonalization calculations show a continuous transition from delocalized to small polaron behavior as a function of intersite electron-lattice coupling. A transition, found previously at Hartree-Fock level [Yonemitsu et al., Phys.…