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Controlling phase transitions in transition metal oxides remains a central feature of both technological and fundamental scientific relevance. A well-known example is the metal-insulator transition which has been shown to be highly…
With the advent of increasingly elaborate experimental techniques in physics, chemistry and materials sciences, measured data are becoming bigger and more complex. The observables are typically a function of several stimuli resulting in…
To study martensitic phase transformation we use a micromechanical model based on statistical mechanics. Employing lattice Monte-Carlo simulations and realistic material properties for shape-memory alloys (SMA), we investigate the combined…
Two-dimensional electron gas (2DEG) confined in quantum wells at insulating oxide interfaces have attracted much attention as their electronic properties display a rich physics with various electronics orders such as superconductivity and…
Metal fluoride and oxides can store multiple lithium-ions through conversion chemistry to enable high energy-density lithium-ion batteries. However, their practical applications have been hindered by an unusually large voltage hysteresis…
Understanding the origin of hysteresis in the channel resistance from top gated graphene transistors is important for transistor applications. Capacitance - voltage measurements across the gate oxide on top gated bilayer graphene show…
We study the resistive switching (RS) mechanism as way to obtain multi-level memory cell (MLC) devices. In a MLC more than one bit of information can be stored in each cell. Here we identify one of the main conceptual difficulties that…
Critical phenomena of ferromagnetic transition in colossal magnetoresistance manganites are theoretically studied. Concerning the critical exponents for this transition, there still remains controversy among experimental results. In order…
This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary…
Electronic, lattice, and spin interactions at the interfaces between crystalline complex transition metal oxides can give rise to a wide range of functional electronic and magnetic phenomena not found in bulk. At hetero-interfaces, these…
The dynamics of an oscillated sessile drop of incompressible liquid with the focus on the contact line hysteresis is under theoretical consideration. The solid substrate is subject to transverse oscillations, which are assumed small…
Hybrid or metal organic framework (MOF) perovskites of general composition, ABX$_3$, are known to show interesting properties which can lead to variety of technological applications. Our first principles study shows they are also potential…
We study the competition of magneto-dipole, anisotropy and exchange interactions in composite three dimensional multiferroics. Using Monte Carlo simulations we show that magneto-dipole interaction does not suppress the ferromagnetic state…
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…
When a elastic body is moved quasistatically back and forth over a surface, the friction of the interface is experimentally observed to circulate through a hysteretic loop. The asymptotic behaviour of the hysteresis loop is approached…
Progress of silicon based technology is nearing its physical limit, as minimum feature size of components is reaching a mere 10 nm. The resistive switching behaviour of transition metal oxides and the associated memristor device is emerging…
Electric-field induced magnetization switching in multiferroic magnetoelectric devices is promising for beyond Moore's law computing. We show here that interface-coupled multiferroic heterostructures, i.e., a ferroelectric layer coupled…
For the first time in a bulk proper uniaxial ferroelectrics, double antiferroelectric-like hysteresis loops have been observed in the case of Sn$_2$P$_2$S$_6$ crystal. The quantum anharmonic oscillator model was proposed for description of…
The viscous motion of an interface driven by an ac external field of frequency omega_0 in a random medium is considered here for the first time. The velocity exhibits a smeared depinning transition showing a double hysteresis which is…
Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of marten- site can have a compatible…