Related papers: Pressure-induced two-step spin crossover in double…

For doped two-dimensional Mott insulators in their normal state, the challenge is to understand the evolution from a conventional metal at high doping to a strongly correlated metal near the Mott insulator at zero doping. To this end, we…

Binary mixtures of large and small particles with disparate size ratio exhibit a rich phenomenology at their glass transition points. In order to gain insights on such systems, we introduce and study a two-component version of the $p$-spin…

The mixed spin-(1,1/2) Ising-Heisenberg double sawtooth ladder containing mixture of both spin-1 and spin-1/2 nodal atoms, and the spin-1/2 interstitial dimers is approximately solved by the transfer-matrix method. Here, we study in detail…

The glass transition of mesoscopic charged particles in two-dimensional confinement is studied by mode-coupling theory. We consider two types of effective interactions between the particles, corresponding to two different models for the…

Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic…

A new semi-analytic model of the metal rolling process is introduced, which, for the first time, is able to predict the through-thickness stress and strain oscillations present in long thin roll-gaps. The model is based on multiple-scales…

We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with…

We have studied two types of meshwork models by using the canonical Monte Carlo simulation technique. The first meshwork model has elastic junctions, which are composed of vertices, bonds, and triangles, while the second model has rigid…

Transport, thermal and magnetic measurements have been carried out on (Pr1-ySmy)1-xCaxCoO3. The system exhibits a structural phase transition accompanied by the spin state change from the intermediate spin (IS) state to the low spin (LS)…

Phase transitions in a modified Nishimori model, including the model considered by Kitatani, on a two-dimensional square lattice are investigated using a tensor-network-based sampling scheme. In this model, generating bond configurations is…

Temperature dependent nuclear inelastic-scattering (NIS) of synchrotron radiation was applied to investigate both spin states of the spin-crossover complex [Fe(tpa)(NCS)(2)] (tpa = tris(2-pyridylmethyl)amine). A remarkable increase of the…

Among the family of TMDs, ReS2 takes a special position, which crystalizes in a unique distorted low-symmetry structure at ambient conditions. The interlayer interaction in ReS2 is rather weak, thus its bulk properties are similar to that…

We present extensive Monte Carlo simulations on a two-dimensional XY model with a modified form of interaction potential. Thermodynamic quantities other than energy, specific heat etc (such as magnetization, susceptibility, fourth order…

The metal-insulator and spin state transitions of CoO under high pressure are studied by using density functional theory combined with dynamical mean-field theory. Our calculations predict that the metal-insulator transition in CoO is a…

We present a model for the metal-insulator transition in 2D, observed in the recent years. Our starting point consists of two ingredients only, which are ubiquitous in the experiments: Coulomb interactions and weak disorder spin-orbit…

We study a hole-doped two-leg ladder system including metal ions, oxygen, and electron-lattice interaction, as a model for Sr_{14-x}Ca_xCu_{24}O_{41-\delta}. Single- and bi-polaronic states at 1/4-hole doping are modeled as functions of…

Spin crossover (SCO) materials are reversible molecular switches found in a wide range of transition metal complexes and metal organic frameworks (MOFs). They exhibit diverse spin state orderings and transitions between them. We present an…

We present LDA+$U_{sc}$ calculations of high-spin (HS) and low-spin (LS) states in ferropericlase (fp) with an iron concentration of 18.75$\%$. The Hubbard parameter $U$ is determined self-consistently with structures optimized at arbitrary…

It has been reported that upon doping a Mott insulator, there can be a crossover to a pseudogaped metallic phase followed by a first-order transition to another thermodynamically stable metallic phase. We call this first-order metal-metal…

Molecular spin crossover switches are the objects of intense theoretical and experimental studies in recent years. This interest is due to the fact that these systems allow one to control their spin state by applying an external photo-,…