Ab initio study of the effect of thickness and epitaxial strain on the magnetic structure of NiMn freestanding films

The magnetic properties of tetragonal structure of stoichiometric NiMn alloy is investigated using density functional theory within the local spin density approximation. The system studied here, is a free standing film. The effect of thickness and epitaxial strain on the magnetic and structural properties is examined. It is found that while the magnetic moments of Mn surface atoms vary depending on the number of layers being odd (3.60 ${\mathrm{\mu }}_{\mathrm{B}}$) or even (3.55 ${\mathrm{\mu }}_{\mathrm{B}}$) the magnitude of the magnetic moment for surface Ni atoms is constant (0.11 ${\mathrm{\mu }}_{\mathrm{B}}$). By applying epitaxial strain on the slabs, it was observed, for the first time, that the magnetic phase of NiMn films changes from “A-type-like” ferrimagnetic for compressive strains to “G-type-like” ferrimagnetic for tensile strains.     

Monte Carlo study of the critical and the compensation behaviors of the double perovskite Sr2CrIrO6

The phase diagrams and magnetic properties of double perovskite $S{r}_{2}CrIr{O}_6$ have been studied by using Monte Carlo simulation based on the heat bath algorithm. The ground-state diagrams of the compound $S{r}_{2}CrIr{O}_6$ have been calculated for different combinations of system parameters. The diagrams obtained are very rich and they give an idea of all the most stable configurations. The effects of the exchange interactions and the crystal field on the phase diagrams and magnetic properties of the system have been examined. A number of interesting phenomena have been observed such as the compensation temperature, the first and second order phase transitions, the critical triple point and the terminal critical point.     

An existence of universality in the dynamics of two types of glass-forming liquids - fragile liquids and strong liquids

By employing a simplified nonlinear memory function proposed recently by the present author, a universal equation for a collective-intermediate scattering function derived based on the time-convolutionless mode-coupling theory is numerically solved to study the dynamics of glass-forming liquids. The numerical calculation is done based on the simulation results performed on two types of liquids, fragile liquids and strong liquids. Those are then shown to be uniquely determined by the long-time collective diffusion coefficient $D(q_m)$, where $q_m$ is a first peak position of a static structure factor for a whole system. Thus, there exists such a universality that there is only one solution for different liquids of a same type at a given value of D. This may be consistent with the fact that strong liquids are structurally quite different from fragile liquids. Finally, it is emphasized that such a universality must be helpful to predict $q_m$ from experimental data.     

Topological states in the Hofstadter model on a honeycomb lattice

We provide a detailed analysis of a topological structure of a fermion spectrum in the Hofstadter model with different hopping integrals along the $x,y,z$-links ($t_x=t,t_y=t_z=1$), defined on a honeycomb lattice. We have shown that the chiral gapless edge modes are described in the framework of the generalized Kitaev chain formalism, which makes it possible to calculate the Hall conductance of subbands for different filling and an arbitrary magnetic flux ϕ. At half-filling the gap in the center of the fermion spectrum opens for $t>t_c=2^{\varphi }$, a quantum phase transition in the 2D-topological insulator state is realized at $t_c$. The phase state is characterized by zero energy Majorana states localized at the boundaries. Taking into account the on-site Coulomb repulsion U (where $U<<1$), the criterion for the stability of a topological insulator state is calculated at $t<<1$, $t\sim U$. Thus, in the case of $U>4\mathrm{\Delta }$, the topological insulator state, which is determined by chiral gapless edge modes in the gap Δ, is destroyed.     

PDM creation and annihilation operators of the harmonic oscillators and the emergence of an alternative PDM-Hamiltonian

The exact solvability and impressive pedagogical implementation of the harmonic oscillator's creation and annihilation operators make it a problem of great physical relevance and the most fundamental one in quantum mechanics. So would be the position-dependent mass (PDM) oscillator for the PDM quantum mechanics. We, hereby, construct the PDM creation and annihilation operators for the PDM oscillator via two different approaches. First, via von Roos PDM Hamiltonian and show that the commutation relation between the PDM creation ${\hat{A}}^{+}$ and annihilation $\hat{A}$ operators, $[\hat{A},{\hat{A}}^{+}]=1\iff \hat{A}{\hat{A}}^{+}-1/2={\hat{A}}^{+}\hat{A}+1/2$, not only offers a unique PDM-Hamiltonian ${\hat{H}}_1$ but also suggests a PDM-deformation in the coordinate system. Next, we use a PDM point canonical transformation of the textbook constant mass harmonic oscillator analog and obtain yet another set of PDM creation ${\hat{B}}^{+}$ and annihilation $\hat{B}$ operators, hence an “apparently new” PDM-Hamiltonian ${\hat{H}}_2$ is obtained. The “new” PDM-Hamiltonian ${\hat{H}}_2$ turned out to be not only correlated with ${\hat{H}}_1$ but also represents an alternative and most simplistic user-friendly PDM-Hamiltonian, $\hat{H}={(\hat{p}/\sqrt{2m\left(x\right)})}^2+V\left(x\right)$; $\hat{p}=-iħ{\partial }_x$, that has never been reported before.     

Study of the q-Gaussian distribution with the scale index and calculating entropy by normalized inner scalogram

In this paper, we discuss a method based on wavelet analysis for the study of the q-index of the Gaussian distribution. We derive q-index from the scale index, $i_{\mathit{scale}}$, using the expression; $q\equiv 1+2i_{\mathit{scale}}$ where $i_{\mathit{scale}}$ is a wavelet based tool for measuring the degree of aperiodicity of a dynamical system in the range of $0\le i_{\mathit{scale}}\le 1$. We show that this expression gives consistent results with the numerical approach of q-Gaussian distribution which determines the degree of non-extensivity of a dynamical system in the range of $1<q<3$. We also suggest a new entropy calculation method based on the normalized inner scalogram for studying the chaotic characteristics of nonlinear dynamical systems.     

Thermalization of electron–positron plasma with quantum degeneracy

The non-equilibrium electron–positron–photon plasma thermalization process is studied using relativistic Boltzmann solver, taking into account quantum corrections both in non-relativistic and relativistic cases. Collision integrals are computed from exact QED matrix elements for all binary and triple interactions in the plasma. It is shown that in non-relativistic case (temperatures $k_{B}T\le 0.3m_e{c}^2$) binary interaction rates dominate over triple ones, resulting in establishment of the kinetic equilibrium prior to final relaxation towards the thermal equilibrium, in agreement with the previous studies. On the contrary, in relativistic case (final temperatures $k_{B}T\ge 0.3m_e{c}^2$) triple interaction rates are fast enough to prevent the establishment of kinetic equilibrium. It is shown that thermalization process strongly depends on quantum degeneracy in initial state, but does not depend on plasma composition.     

Composition law for the Cole-Cole relaxation and ensuing evolution equations

Physically natural assumption says that any relaxation process taking place in the time interval $[t_0,t_2]$, $t_2>t_0\ge 0$ may be represented as a composition of processes taking place during time intervals $[t_0,t_1]$ and $[t_1,t_2]$ where $t_1$ is an arbitrary instant of time such that $t_0\le t_1\le t_2$. For the Debye relaxation such a composition is realized by usual multiplication which claim is not valid any longer for more advanced models of relaxation processes. We investigate the composition law required to be satisfied by the Cole-Cole relaxation and find its explicit form given by an integro-differential relation playing the role of the time evolution equation. The latter leads to differential equations involving fractional derivatives, either of the Caputo or the Riemann-Liouville senses, which are equivalent to the special case of the fractional Fokker-Planck equation satisfied by the Mittag-Leffler function known to describe the Cole-Cole relaxation in the time domain.     

Co-thickness and oxidation states effect on magnetic anisotropy in Co/MgO heterostructure

Interfacial magnetism and magnetic anisotropy constant ($K_i$) in Co/MgO heterostructure have been studied using ab-initio density functional calculations. It is found that interfacial Co spin magnetic moment shows a strong interdependence on Co-O bond lengths and a reasonable spin-polarization of ～80% is established as a function of Co layers. Our results revealed a saturated positive (out-of-plane) $K_i$ of +2.80 mJ/m² at ≥12 Co layers (～1.6 nm Co thickness), which is associated with orbital magnetic moment difference in [100] and [001] direction along with a strong hybridization between $d_{xy}$ and $d_{x^2?y^2}$ orbitals through orbital angular momentum operator $\stackrel{?}{L_z}$. Furthermore, it is shown that the $K_i$ magnitude almost remains constant and weakens in the case of under- and over-oxidations in the interfacial MgO and Co layers, respectively. Interestingly, $K_i$ improved for oxygen migrated interface due to enhanced $d_{xy}$ and $d_{x^2?y^2}$ orbitals coupling. The disordered interfaces stability is checked by analyzing the formation energy. Hence, the present findings disclose that the higher Co thickness in ordered Co/MgO structure supports to out-of-plane [001] (positive) $K_i$, which could be useful for its technological implementation in high-density magnetic data storage devices with high thermal stability.