相关论文: Electron correlation in C_(4N+2) carbon rings: aro…

Alkali-doped fullerides exhibit a wealth of unusual phases that remain controversial by nature. Here we report a cryogenic scanning tunneling microscopy study of the sub-molecular structural and electronic properties of expanded fullerene…

Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…

Strong electronic correlations are often associated with the proximity of a Mott insulating state. In recent years however, it has become increasingly clear that the Hund's rule coupling (intra-atomic exchange) is responsible for strong…

In transition-metal compounds, the transition-metal d electrons play an important role in their physical properties; however, the effects of the electron correlation between the ligand p electrons have not been clear yet. In this Letter,…

We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within…

The dynamical Jahn-Teller effect of C$_{60}^{n-}$ anions ($n = $ 1-5) is studied using the numerical diagonalization of the linear $p^n \otimes 8d$ Jahn-Teller Hamiltonian with the currently established coupling parameters. It is found that…

Carbon nanorings are hoop-shaped, {\pi}-conjugated macrocycles which form the fundamental annular segments of single-walled carbon nanotubes (SWNTs). In a very recent report, the structures of chiral carbon nanorings (which may serve as…

We present evidence that the insulator to metal transition in (La,Ca)MnO3 near x~0.2 is driven by the suppression of coherent Jahn-Teller distortions, originating from d type orbital ordering. The orbital ordered state is characterised by…

The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…

The ground state structure of few-electron concentric double quantum rings is investigated within the local spin density approximation. Signatures of inter-ring coupling in the addition energy spectrum are identified and discussed. We show…

We discuss a hopping model of electrons between idealized molecular sites with local orbital degeneracy and dynamical Jahn-Teller effect, for crystal field environments of sufficiently high symmetry. For the Mott-insulating case (one…

The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…

We have analyzed different correlation functions in a realistic spin-orbital model for half-doped manganites. Using a finite-temperature diagonalization technique the CE phase was found in the charge-ordered phase in the case of small…

When strong spin-orbit coupling removes orbital degeneracy, it would at the same time appear to render the Jahn-Teller mechanism ineffective. We discuss such a situation, the t_2g manifold of iridates, and show that, while the Jahn-Teller…

We study the unconventional insulating state in A_4C_{60} with a variety of approaches, including density functional calculations and dynamical mean-field theory. While the former predicts a metallic state, in disagreement with experiment,…

We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that…

Jahn-Teller distortions of transition-metal coordination environments link orbital occupancies to structure. In the solid state, such distortions can be strongly correlated through the propagation of strain and/or through orbital…

We study the structural, electronic, and magnetic properties of Co$_2$ZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is established through the formation and cohesive energy…

Strong correlation effects, such as a dramatic increase in the effective mass of the carriers of electricity, recently observed in the low density electron gas have provided spectacular support for the existence of a sharp metal-insulator…

The silver fluoride Ag$_3$F$_5$ consists structurally of square-planar units formed by four fluoride ions coordinated to a central silver ion, which possesses a partially filled $d$-subshell and the formal valence of +5/3. In this study, we…