Related papers: Threshold Phenomena under Photo Excitation of Spin…
Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction…
In spin-crossover materials, the volume of a molecule changes depending on whether it is in the high-spin (HS) or low-spin (LS) state. This change causes distortion of the lattice. Elastic interactions among these distortions play an…
We study critical properties of the relaxation time at a threshold point in switching processes between bistable states under change of external fields. In particular, we investigate the relaxation processes near the spinodal point of the…
The photo-induced metal-insulator transition is studied by the numerical simulation of real-time quantum dynamics of a double-exchange model. The spatial and temporal evolutions of the system during the transition have been revealed…
We study the two-step spin crossover in a double-layered elastic model based on transition metal complexes each taking high spin (HS) and low spin (LS) states. Here, only the simplest elastic interactions between adjacent molecules are…
Spin crossover (SCO) complexes are highly flexible bistable molecular switches with two distinct spin states that can be switched into each other by external stimuli such as temperature, pressure, or light. In the condensed phase, this spin…
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special relevance are Fe(II) based coordination polymers where, in…
Spin-crossover has a wide range of applications from memory devices to sensors. This has to do mainly with the nature of the transition, which may be abrupt, gradual or incomplete and may also present hysteresis. This transition alters the…
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…
It has previously been pointed out that the coexistence of infinite-range and short-range interactions causes a system to have a phase transition of the mean-field universality class, in which the cluster size is finite even at the critical…
The maximum entropy principle is largely used in thresholding and segmentation of images. Among the several formulations of this principle, the most effectively applied is that based on Tsallis non-extensive entropy. Here, we discuss the…
Recently, the possibility of exploiting the phenomenon of spin transition (ST) has been intensively investigated, therefore, it is particularly important to study the behavior of ST under various stimuli. Here, the shape and content of the…
Photo-excited state in correlated electron system with spin-state degree of freedom is studied. We start from the two-orbital extended Hubbard model where energy difference between the two orbitals is introduced. Photo-excited metastable…
We study the switching behavior of two spin-crossover molecules residing in a nanojunction device consisting of two closely spaced gold electrodes. The spin states are monitored through a real-time measurement of the resistance of the…
A theoretical approach is proposed to treat the spin dynamics in defect color centers. The method explicitly takes into account the spin dynamics in the ground state and excited state of the defect center as well as spin state dependent…
The stability of high vs. low spin states of transition metal complexes has been interpreted by ligand field theory, which is a perturbation theory of the electron-electron interaction. The present first principles calculation of a series…
The mean-field optical phase transition in multimode equal-coupling photonic networks is studied by temporal evolution of the nonlinear equations of motion of the coupled modes. Analogies to statistical mechanics models of interacting…
The excitation of the spin degrees of freedom of an adsorbed atom by tunneling electrons is computed using a strong coupling theory. The excitation process is shown to be a sudden switch between the initial state determined by the…
Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean-field method for a simplified model of a spin-crossover material with a two-step transition between the high-spin and low-spin states. This model is a…
Light-matter interaction is one of the key routes to understanding and manipulating geometric and electronic behaviors of materials, especially two-dimensional materials which are optically accessible owing to their high surface to volume…