相关论文: Slow dynamics of disordered zigzag chain molecules…
The phenomenon of self-assembly of constituent elements to form molecules at low temperatures appears ubiquitously in transition metal compounds with orbital degrees of freedom. Recent progress in local structure studies using synchrotron…
The low and high-temperature phases of V$_4$O$_7$ have been studied by \textit{ab initio} calculations. At high temperature, all V atoms are electronically equivalent and the material is metallic. Charge and orbital ordering, associated…
The metal-insulator transition (MIT) in vanadium dioxide VO$_2$ due to V-V dimerization has been extensively discussed for decades. While it is widely acknowledged that electron correlations, Peierls instabilities, and molecular orbital…
Calcium vanadate CaV$_2$O$_4$ has a crystal structure of quasi-one-dimensional zigzag chains composed of orbital-active V$^{3+}$ ions and undergoes successive structural and antiferromagnetic phase transitions at $T_s\sim 140$ K and $T_N…
LiV_2 O_4 is one of the most puzzling compounds among transition metal oxides because of its heavy fermion like behavior at low temperatures. In this paper we present results for the orbital state and magnetic properties of LiV_2 O_4…
We study colloidal ordering and disordering on two-dimensional periodic substrates where the number of colloids per substrate minima is two or three. The colloids form dimer or trimer states with orientational ordering, referred to as…
We present 1X2V continuum Vlasov-Maxwell simulations of interpenetrating plasma beams with mobile ions. While the early-time evolution is similar to the stationary-ion case, the late-time dynamics are dominated by the ion-Weibel…
Ultrasound velocity measurements of the orbital-degenerate frustrated spinel MgV$_2$O$_4$ are performed in the high-purity single crystal which exhibits successive structural and antiferromagnetic phase transitions, and in the…
We perform ultrasound velocity measurements on a single crystal of nearly-metallic spinel Co$_{1.21}$V$_{1.79}$O$_4$ which exhibits a ferrimagnetic phase transition at $T_C \sim$ 165 K. The experiments reveal a variety of elastic anomalies…
Vanadium atoms in layered LiVO2 form in-plane periodic vanadium trimers at low temperatures, but the trimers appear randomly in the stacking direction because there are many trimer configurations with comparable lattice energy. We detailed…
We summarize some characteristic features of the frustrated magnetic interactions in spin-orbital models adequate for cubic transition metal oxides with orbital degeneracy. A generic tendency towards dimerization, found already in the…
We study the effects of the degeneracy of the $e_g$ orbitals as well as the double exchange interaction with $t_{2g}$ spins in perovskite transition-metal oxides. In addition to the spin field ${\vec S}_i$, the isospin field ${\vec T}_i$ is…
Metal oxides such as VO$_2$ undergo structural transitions to low-symmetry phases characterized by intricate crystalline order, accompanied by rich electronic behavior. We derive a minimal ionic Hamiltonian based on symmetry and local…
We show that formamidinium lead bromide is unique among the halide perovskite crystals because its inorganic sub-lattice exhibits intrinsic local static disorder that co-exists with a well-defined average crystal structure. Our study…
Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…
We present a revised atomistic picture of the order-disorder transition in the archetypal orbital-ordered perovskite material, LaMnO$_{3}$. Our study uses machine-learning-driven molecular-dynamics simulations which describe the temperature…
We present a Tight-Binding Molecular Dynamics investigation of the stability, the geometrical and the electronic structure of suspended monatomic transition metal chains. We show that linear and stable monatomic chains are formed at…
Correlated transition metal oxides present exciting prospects as switches or memory and storage devices owing to the possibility to control electronic properties using various external stimuli. While their complex behaviour is known to stem…
The ferrimagnetic spinel $\mathrm{CoV_2O_4}$ has been a topic of intense recent interest, both as a frustrated insulator with unquenched orbital degeneracy and as a near-itinerant magnet which can be driven metallic with moderate applied…
When considering magnetic systems in the thermodynamic limit and at low enough temperature, one finds typically magnetically ordered phases. In contrast, in the high-temperature regime, the interactions between the spin degrees of freedom…