National Institute Of Materials Physics - Romania

We study the eigenspectrum properties of a one-dimensional molecular chain composed of hexagonal unit cells. The system features two alternating hopping parameters, resulting in a rich energy spectrum with both dispersive and flat bands. By analyzing the model under periodic and open boundary conditions, we identify two insulating phases separated by a gap-closing transition controlled by the ratio of hopping amplitudes. In the topological phase, realized when the hopping ratio falls below a critical value, edge states emerge that are exponentially localized at the boundaries of finite chains.

We consider random sequential adsorption (RSA) of aligned squares and derive the low-coverage expansion of the availability function alpha(q), the fraction of positions accessible to an additional square, up to fourth order in the coverage q. At low coverage, the reduction of available space can be understood in terms of geometric overlap between exclusion regions created by previously deposited squares. A single square blocks a finite area; pairs of squares may have overlapping exclusion zones, reducing the total blocked area; similarly, three and four squares can share a common overlap region, leading to higher-order corrections. These contributions can be systematically accounted for through an inclusion-exclusion expansion based on the geometry of overlapping exclusion regions, with alternating signs dictated by inclusion-exclusion. The expansion terminates exactly at fourth order, since no more than four deposited squares can simultaneously overlap the exclusion region of a trial insertion. The coefficients are obtained by explicit enumeration of all such geometrically admissible configurations and are further confirmed by numerical simulations on a discrete lattice, showing agreement within statistical uncertainty.

We present a theoretical study of the interplay between the spin-mechanical coupling and spin-lattice relaxation in the dynamics of a nitrogen-vacancy center in diamond. Single and double-quantum spin transitions are driven by resonant acoustic pulses. In addition, the two-phonon decoherence processes are included in the Lindblad equation of the density operator along with the temperature dependence of the corresponding relaxation rates. Our numerical simulations reveal that these processes activate all spin states of the NV-center. Therefore, an idealized qubit rotation is replaced by a genuine qutrit dynamics. We then show that consecutive single- and double-quantum acoustic pulses operate as an all-acoustic qutrit-shift gate. Besides calculating the time-dependent populations of the spin states, we discuss the cumulative impact of the spin-lattice relaxation and spin dephasing on the fidelity of a sequence of qubit and qutrit operations.

In a two-dimensional electron gas in a periodic lateral superlattice subjected to an external homogeneous magnetic field and in a cylindrical far-infrared photon cavity we search for effects of broken symmetries: Static ones, stemming from the unit cell of the system, and the external magnetic field together with the dynamic ones caused by the vector potential of the cavity promoting magnetic types of transitions, and the chirality of the excitation pulse. The Coulomb interaction of the electrons is described within density functional theory, but the electron-photon interactions are handled by a configuration interaction formalism within each step of the density functional approach, both for the static and the dynamic system. In the dynamical calculations we observe weak chiral effects that change character as the strength of the electron-photon interaction and the external magnetic field are increased. From the analysis of the chiral effects we identify an important connection of the para- and diamagnetic electron-photon interactions that promotes the diamagnetic interaction in the present system when the interaction strength is increased. Furthermore, the asymmetric potential in the unit cell of the square array activates collective oscillation modes that are not present in the system when the unit cell has a higher symmetry.

Some alloys exhibit not only shape memory but also thermal memory, retaining information about the highest temperature reached during heating. This phenomenon occurs when the alloy starts in the martensite phase and is then heated up to an "arrest temperature" that lies strictly within the martensite-austenite transformation range, without the transformation being completed. The "reading" of this memory is performed by cooling the alloy back into martensite and then reheating it to full austenite in a calorimeter, where the phase transition heat flow displays a dip near the arrest temperature. This unique behavior naturally qualifies such materials as temperature sensors, more precisely as maximum thermometers, which by definition indicate the maximum temperature reached during a given time interval. In this paper, we extend existing thermal memory studies to various polycrystalline shape memory alloys with Heusler structure, prepared by rapid solidification and based on NiFeGa (with Co, Al, Gd, Nd additions) and NiMnGa compositions. We analyze the possibility of shifting the transformation temperatures - and implicitly the thermal memory sensitivity range - through composition variations and thermal treatments. The thermal memory effect was consistently observed, and in fact quite readily, across all samples at various temperatures within the sensitivity interval. In contrast to classical maximum thermometers, these materials are capable of also memorizing multiple temperatures, as long as they are recorded in a strictly decreasing order. The use of sample groups and calibration aspects are discussed. Finally, we emphasize that shape memory alloys with these compositions and preparation methods show potential for recording temperatures across a wide range - from 0 degrees C to above 100 degrees C. A statistical geometry model, based on the redistribution of the martensite plates sizes, qualitatively reproduces the observed thermal memory features.

We investigate the energy spectrum and transport properties of a diatomic square lattice model that manifest antichiral characteristics. The emergence of antichiral edge states is primarily governed by the relative sign of the next-nearest-neighbor hopping parameters on the two sublattices. However, in finite systems, the atomic structure at the boundaries plays a crucial role in determining whether the system exhibits chiral/antichiral behavior. Using both analytical and numerical methods, we reveal the presence of antichiral edge states in ribbon geometries and emphasize the importance of atomic connectivity at the edges. Extending our analysis, we simulate various finite size geometries to identify which configuration supports antichiral behavior. The transport properties are studied in the Landauer-B & uuml;ttiker approach for a Hall device with four leads. We study the transmittance coefficients, transverse (Hall), and longitudinal resistance by comparing the antichiral versus chiral situations. In particular, the antichiral case shows a vanishing Hall effect and negative longitudinal resistance. The presence of the bulk currents is proved by calculating explicitly the currents on the plaquette and the local density of states in the system with leads. Additionally, we investigate the influence of Anderson disorder on the transmittance coefficients to highlight the reduced robustness of antichiral systems.

We propose an algorithm for determining the zeros of the electric conductivity in large molecular nanonstructures such as graphene sheets. To this end, we employ the inverse graph method, whereby non-zeros of the Green's functions are represented graphically by a segment connecting two atomic sites, to visually signal the existence of a conductance zero as a line that is missing. In rectangular graphene structures the topological properties of the inverse graph determine the existence of two types of Green's function zeros that correspond to absolute conductance cancellations with distinct behavior in the presence of external disorder. We discuss these findings and their potential applications in some particular cases.

The Ni49+xMn32-2xGa19+x (x = 0; 2) Heusler ferromagnetic shape memory alloys were prepared using spark plasma sintering using raw flake-type powders obtained by soft grinding melt-spun ribbons. Samples were characterized using x-ray diffraction, electron microscopy, thermal analysis, and bending tests. Although the properties of ribbons and corresponding powders show similar properties' tendencies, they are opposite in the bulk sintered alloys when compared with precursor powders. Namely, Ni49Mn32Ga19 bulk shows a higher enthalpy (5.8 J g-1), an increased martensitic transformation (MT) temperature (by 9 K), and a reduced hysteresis span (5 K). Conversely, for the Ni51Mn28Ga21 sintered sample, a lower enthalpy (2 J g-1), a significant decrease (by 40 K) in the MT starting temperature, and a broadening of the hysteresis range (26 K) were observed. This difference is analyzed versus specific features of the microstructure. Moreover, the activation energy and the pre-exponential factor of the MT, extracted through kinetic analysis within two non-isothermal models, Kissinger and Friedman, complement and sustain these findings. Fractography details of the sintered samples are discussed in relation to the stress-strain curves from the bending tests. The Ni49Mn32Ga19 bulk sample exhibits a higher bending strength (260 MPa) and a lower strain (0.55%) than the Ni51Mn28Ga21 sample (177 MPa and 0.61%). The observed dependence of functional characteristics on preparation enables the possibility of property control required for various applications and suggests that the proposed route is promising in this regard for further investigations.

We investigate the second-order Floquet topological (SOFT) phase transitions, from the perspective of spatial symmetries. In this respect, we consider a generic honeycomb lattice Floquet topological insulator (FTI), realized by circularly polarized light irradiation, in the presence of spin-orbit coupling (Kane-Mele model). We find that our studied FTI presents chiral symmetry on a preferential direction in Fourier space, the same property that protects the topological phases in the Su-Schrieffer-Heeger (SSH) model. Thus we were allowed to characterize the SOFT phases in terms of mirror-graded winding numbers (Zak phase). Moreover, our model exhibits C2 and C3 symmetry in Fourier space, a property which lead us to investigate two finite structures having the aforementioned symmetries, namely, rhombic and triangular shapes. Indeed, we find that both of them undergo SOFT phase transitions, characterized by the appearance of 0D corner states symmetrically localized over the whole sheet. Finally, we investigate the C2 and C3 symmetry breaking. Interestingly, we reveal that the corner states are not destroyed, but localize at preferential corners instead, giving rise to a corner polarization.

We model a change of the spin configuration in a two-dimensional square array, or a lateral superlattice, of quantum rings in an external perpendicular homogeneous magnetic field. The electron system is placed in a circular cylindrical far-infrared photon cavity with a single circularly symmetric photon mode. Our numerical results reveal that the spin ordering of the two-dimensional electron gas in each quantum ring can be influenced or controlled by the electron-photon coupling strength and the energy of the photons. The Coulomb interaction between the electrons is described by a spin-density functional approach, but the para- and diamagnetic electron-photon interactions are modeled via a configuration interaction formalism in a truncated many-body Fock-space, which is updated in each iteration step of the density functional approach. In the absence of external electromagnetic pulses this reordering of the spin configuration is replicated in the orbital magnetization of the rings. The change in the spin configuration can be suppressed by a strong electron-photon interaction. In addition, fluctuations in the spin configuration are found in dynamical calculations, where the system is excited by a time-dependent coupling scheme to a cylindrical cavity mode for emphasizing the diamagnetic electron-photon interaction not leading to simple electrical dipole oscillations. The diamagnetic interaction is enhanced by the rotational electric field of the particular cavity mode.