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Peter M. Derlet

Publications and source records attributed to Peter M. Derlet.

At least 19 recordsLinked to original sources

THz-induced phonon mode mixing and collective dynamics in a polar nanolattice

Manipulating phonons through symmetry is a fundamental approach to alter the dynamic responses of materials. Most often new phases are sought through control of the unit-cell (e.g. via strain, doping, light, etc.). By comparison, there is vast potential to look beyond the unit-cell into higher-order architectures to control wave scattering and interference effects that remains less explored. We describe the THz-induced dynamics of an SrTiO$_{3}$ thin film with a nanoscale ordered interfacial dislocation network probed with 2- and 3-dimensional time-resolved x-ray diffraction and classical molecular dynamics simulations. We find that symmetry breaking at all scales is an effective approach to create a dynamical electric polarization and to control phonon mixing that generates previously unreported collective modes in the THz regime with circular vortex-like displacements. This work opens a new pathway to explore dynamical functional properties that can be extended to magnetic, electric, and ferroelectric systems by controlling the real-space topology via epitaxy.

cond-mat.str-el

Realizing Blume-Capel Degrees of Freedom with Toroidal Moments in a Ruby Artificial Spin Ice

Realizing exotic Hamiltonians beyond the Ising model is a key pursuit in experimental statistical physics. One such example is the Blume-Capel model, a three-state spin model, whose phase diagram features a tricritical point where second-order and first-order transition lines converge, leading to a coexistence of paramagnetic, ferromagnetic, and disordered phases. Here, we realize an artificial crystal of single-domain nanomagnets, placed on the links of the Ruby lattice, enabling real-space observation of the Blume-Capel degrees of freedom. These Blume-Capel degrees of freedom are represented by the presence, sign and interactions of the toroidal moments that emerge naturally in plaquettes of nanomagnets in the Ruby artificial spin ice. By precisely tuning the lattice parameters of the Ruby artificial spin ice, we demonstrate control over the two-step ordering process of the toroidal moments, whereby there is a high-temperature crossover from a paramagnetic phase to an intermediate paratoroidic regime, followed by a second-order phase transition to a ferrotoroidic ground state. This sequence of toroidal phases and transitions is accurately captured by the Blume-Capel framework and provides a direct realization of a substantial portion of the phase diagram associated with the model. This establishes a new platform for exploring exotic Hamiltonians in terms of artificial spin ice superstructures, here with groups of nanomagnets forming toroidal moments. The success of this mapping paves the way for an entirely new frontier in artificial spin ice: intentionally engineering lattice designs whose effective Hamiltonians mediate unconventional forms of magnetic order, with new behaviors and functionalities.

cond-mat.mes-hall

Magnetic ordering in out-of-plane artificial spin systems based on the Archimedean lattices

Artificial spin systems, sometimes referred to as artificial spin ices, are arrays of coupled nanoscale magnets that order according to the lattice geometry, nanomagnet shape and magnetic anisotropy. Here we characterize a family of artificial spin systems that are formed by placing arrays of out-of-plane nanomagnets on the vertices of the Archimedean lattices. On demagnetizing these nanomagnet arrays using a magnetic field protocol and subsequently imaging the magnetic configuration using magnetic force microscopy, we observe different types of magnetic order. We compare our experimental results with those predicted by Monte Carlo simulations to assign an effective temperature to each lattice. We find that, for all of the lattices, the assigned effective temperature is above the transition temperature. This reflects the difficulty of obtaining system-spanning order in lattices with out-of-plane nanomagnets. We consider to what extent further-neighbor interactions affect the phase diagram and spin-spin correlations in each lattice, illustrating our results with four example lattices. We can divide the lattices into three main categories: bipartite lattices that admit a perfect antiferromagnetic ground state, frustrated lattices where ordering proceeds via a single step, and frustrated lattices with two-step-ordering. Our work highlights the diversity of magnetic ordering that can be hosted in two-dimensional artificial spin systems with out-of-plane nanomagnets, and demonstrates the importance of including long-range interactions to explain the magnetic ordering. Such insights will be important for incorporating artificial spin systems into novel computing applications.

cond-mat.mes-hall

Five-stage ordering to a topological-defect-mediated ground state in a buckyball artificial spin ice

Artificial spin ices are arrays of coupled nanomagnets, which exhibit a variety of fascinating collective behaviour including emergent magnetic monopoles, charge screening, and novel phase transitions. However, they have mainly been confined to two dimensions due to the challenges inherent to their fabrication and characterisation in three dimensions. Exploiting the third dimension offers new degrees of freedom leading to, for example, topological effects that arise from the curvature. Here, using numerical simulations, we uncover the low-temperature magnetic behaviour of a finite three-dimensional spin lattice: the buckyball artificial spin ice, where the spins are located on the edges of a regular buckyball. This frustrated system has a non-trivial structural topology that results in a rich spectrum of thermal magnetic behaviour, beginning with a crossover from paramagnetism to a Spin-Ice sector followed by the formation of an imperfect charge crystal, before partial spin order is established in three separate steps. The final ground state configuration is described by a pair of robust topological magnetic defects that arise because of the finite curved nature of the spatial-spin interaction. Our work uncovers the intricate thermodynamics of the buckyball artificial spin ice. In doing so, we pave the way to designing unusual magnetic textures in other curved three-dimensional nanomagnetic systems by exploiting the interplay between structural topology and the dipolar interaction.

cond-mat.mes-hall

Impact of planar defects on the reversal time of single magnetic domain nanoparticles

Recent experimental investigations of individual magnetic nanoparticles reveal a diverse range of magnetic relaxation times which cannot be explained by considering their size, shape, and surface anisotropy, suggesting other factors associated with the internal microstructure of the particles are at play. In this letter, we apply Langer's theory of thermal activation to single magnetic domain fcc Co nanoparticles, whose experimental microstructures are characterized by planar defects, and derive an analytic expression for the relaxation time. The obtained Arrhenius exponential and its prefactor, which is often assumed to be a constant, are here found to both depend exponentially on system size and the number of defects. Together they provide a quantitative prediction of the experimental findings, and more generally highlight the importance of structural defects when considering magnetic stability.

cond-mat.mes-hall

A robust theory of thermal activation in magnetic systems with Gilbert damping

Magnetic systems can exhibit thermally activated transitions whose timescales are often described by an Arrhenius law. However, robust predictions of such timescales are only available for certain cases. Inspired by the harmonic theory of Langer, we derive a general activation rate for multi-dimensional spin systems. Assuming local thermal equilibrium in the initial minimum and deriving an expression for the flow of probability density along the real unstable dynamical mode at the saddle point, we obtain the expression for the activation rate that is a function of the Gilbert damping parameter, $\alpha$. We find that this expression remains valid for the physically relevant regime of $\alpha\ll1$. When the activation is characterized by a coherent reorientation of all spins, we gain insight into the prefactor of the Arrhenius law by writing it in terms of spin wave frequencies and, for the case of a finite antiferromagnetic spin chain, obtain an expression that depends exponentially on the square of the system size indicating a break-down of the Meyer-Neldel rule.

cond-mat.mes-hall

Unifying atoms and colloids near the glass transition through bond-order topology

In this combined experimental and simulation study, we utilize bond-order topology to quantitatively match particle volume fraction in mechanically uniformly compressed colloidal suspensions with temperature in atomistic simulations. The obtained mapping temperature is above the dynamical glass transition temperature, indicating that the colloidal systems examined are structurally most like simulated undercooled liquids. Furthermore, the structural mapping procedure offers a unifying framework for quantifying relaxation in arrested colloidal systems.

cond-mat.soft

The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for atomistic modeling of high-dose irradiation in bulk materials to probe the athermal limit of saturation of GB and dislocation core regions under irradiation in FCC Ni. We find that, upon continuously subjecting a single dislocation or GB to Frenkel pair creation in the athermal limit, a local steady state disordered defect structure is reached with excess properties that fluctuate around constant values. Case studies are given for a straight screw dislocation which elongates into a helix under irradiation and several types of low and high angle GBs, which exhibit coupled responses such as absorption of extrinsic dislocations, roughening and migration. A positive correlation is found between initial GB energy and the local steady state GB energy under irradiation across a wide variety of GB types. Metastable GB structures with similar density in the defect core region but different initial configurations are found to converge to the same limiting structure under CRA. The mechanical responses of pristine and irradiated dislocations and GB structures are compared under an applied shear stress. Irradiated screw and edge dislocations are found to exhibit a hardening response, migrating at larger flow stresses than their pristine counterparts. Mobile GBs are found to exhibit softening or hardening responses depending on GB character. Although some GBs recover their initial pristine structures upon migration outside of the radiation zone, many GBs sustain different flow stresses corresponding to altered mobile core structures.

cond-mat.mtrl-sci

Giant magnetic anisotropy in the atomically thin van der Waals antiferromagnet FePS3

Van der Waals (vdW) magnets are an ideal platform for tailoring two-dimensional (2D) magnetism with immense potential for spintronics applications and are intensively investigated. However, little is known about the microscopic origin of magnetic order in these antiferromagnetic systems. We used X-ray photoemission electron microscopy to address the electronic and magnetic properties of the vdW antiferromagnet FePS3 down to the monolayer. Our experiments reveal a giant out-of-plane magnetic anisotropy of 22 meV per Fe ion, accompanied by unquenched magnetic orbital moments. Moreover, our calculations suggest that the Ising magnetism in FePS3 is a visible manifestation of spin-orbit entanglement of the Fe 3d electron system.

cond-mat.mes-hall

Single femtosecond laser pulse excitation of individual cobalt nanoparticles

Laser-induced manipulation of magnetism at the nanoscale is a rapidly growing research topic with potential for applications in spintronics. In this work, we address the role of the scattering cross section, thermal effects, and laser fluence on the magnetic, structural, and chemical stability of individual magnetic nanoparticles excited by single femtosecond laser pulses. We find that the energy transfer from the fs laser pulse to the nanoparticles is limited by the Rayleigh scattering cross section, which in combination with the light absorption of the supporting substrate and protective layers determines the increase in the nanoparticle temperature. We investigate individual Co nanoparticles (8 to 20 nm in size) as a prototypical model system, using x-ray photoemission electron microscopy and scanning electron microscopy upon excitation with single femtosecond laser pulses of varying intensity and polarization. In agreement with calculations, we find no deterministic or stochastic reversal of the magnetization in the nanoparticles up to intensities where ultrafast demagnetization or all-optical switching is typically reported in thin films. Instead, at higher fluences, the laser pulse excitation leads to photo-chemical reactions of the nanoparticles with the protective layer, which results in an irreversible change in the magnetic properties. Based on our findings, we discuss the conditions required for achieving laser-induced switching in isolated nanomagnets.

cond-mat.mes-hall

Observation of transient and asymptotic driven structural states of tungsten exposed to irradiation

Combining spatially resolved X-ray Laue diffraction with atomic-scale simulations, we observe how ion-irradiated tungsten undergoes a series of non-linear structural transformations with increasing irradiation exposure. Nanoscale defect-induced deformations accumulating above 0.02 displacements per atom (dpa) lead to highly fluctuating strains at ~0.1 dpa, collapsing into a driven quasi-steady structural state above ~1 dpa. The driven asymptotic state is characterized by finely dispersed vacancy defects coexisting with an extended dislocation network, and exhibits positive volumetric swelling due to the creation of new crystallographic planes through self-interstitial coalescence, but negative lattice strain.

cond-mat.mtrl-sci

Using random testing to manage a safe exit from the COVID-19 lockdown

We argue that frequent sampling of the fraction of infected people (either by random testing or by analysis of sewage water), is central to managing the COVID-19 pandemic because it both measures in real time the key variable controlled by restrictive measures, and anticipates the load on the healthcare system due to progression of the disease. Knowledge of random testing outcomes will (i) significantly improve the predictability of the pandemic, (ii) allow informed and optimized decisions on how to modify restrictive measures, with much shorter delay times than the present ones, and (iii) enable the real-time assessment of the efficiency of new means to reduce transmission rates. Here we suggest, irrespective of the size of a suitably homogeneous population, a conservative estimate of 15000 for the number of randomly tested people per day which will suffice to obtain reliable data about the current fraction of infections and its evolution in time, thus enabling close to real-time assessment of the quantitative effect of restrictive measures. Still higher testing capacity permits detection of geographical differences in spreading rates. Furthermore and most importantly, with daily sampling in place, a reboot could be attempted while the fraction of infected people is still an order of magnitude higher than the level required for a relaxation of restrictions with testing focused on symptomatic individuals. This is demonstrated by considering a feedback and control model of mitigation where the feed-back is derived from noisy sampling data.

q-bio.PE

Continuous ground-state degeneracy of classical dipoles on regular lattices

Dipolar interactions are crucial in the modeling of many complex magnetic systems, such as the pyrochlores and artificial spin systems. Remarkably, many classical dipolar coupled spin systems exhibit a continuous ground-state degeneracy, which is unexpected as the Hamiltonian does not possess a continuous symmetry. In this paper, we explain, how such a finite point-symmetry leads to a continuous ground-state degeneracy of specific classical dipolar-coupled systems. This work, therefore, provides new insight into the theory of classical dipolar-coupled spin-systems and opens the way to understand more complex dipolar coupled systems.

cond-mat.stat-mech

Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials

Amorphous solids, like metallic glasses, exhibit an excess of low frequency vibrational states reflecting the break-up of sound due to the strong structural disorder inherent to these materials. Referred to as the boson peak regime of frequencies, how the corresponding eigenmodes relate to the underlying atomic-scale disorder remains an active research topic. In this paper we investigate the use of a polynomial filtered eigensolver for the computation and study of low frequency eigenmodes of a Hessian matrix located in a specific interval close to the boson peak regime. A distributed-memory parallel implementation of a polynomial filtered eigensolver is presented. Our implementation, based on the Trilinos framework, is then applied to Hessian matrices of different atomistic bulk metallic glass structures derived from molecular dynamics simulations for the computation of eigenmodes close to the boson peak. In addition, we demonstrate the parallel scalability of our implementation on multicore nodes. Our resulting calculations successfully concur with previous atomistic results, and additionally demonstrate a broad cross-over of boson peak frequencies within which sound is seen to break-up.

physics.comp-ph

Phase diagram of dipolar-coupled XY moments on disordered square lattices

The effects of dilution disorder and random-displacement disorder are analyzed for dipolar-coupled magnetic moments confined in a plane, which were originally placed on the square lattice. In order to distinguish the different phases, new order parameters are derived and parallel tempering Monte Carlo simulations are performed for a truncated dipolar Hamiltonian to obtain the phase diagrams for both types of disorder. We find that both dilution disorder and random-displacement disorder give similar phase diagrams, namely disorder at small enough temperatures favors a so-called microvortex phase. This can be understood in terms of the flux closure present in dipolar-coupled systems.

cond-mat.stat-mech

Direct observation of enhanced magnetism in individual size- and shape-selected 3d transition metal nanoparticles

Magnetic nanoparticles are important building blocks for future technologies ranging from nano-medicine to spintronics. Many related applications require nanoparticles with tailored magnetic properties. However, despite significant efforts undertaken towards this goal, a broad and poorly-understood dispersion of magnetic properties is reported, even within mono-disperse samples of the canonical ferromagnetic 3d transition metals. We address this issue by investigating the magnetism of a large number of size- and shape-selected, individual nanoparticles of Fe, Co, and Ni using a unique set of complementary characterization techniques. At room temperature only superparamagnetic behavior is observed in our experiments for all Ni nanoparticles within the investigated sizes, which range from 8 to 20 nm. However, Fe and Co nanoparticles can exist in two distinct magnetic states at any size in this range: (i) a superparamagnetic state as expected from the bulk and surface anisotropies known for the respective materials and as observed for Ni; and (ii) a state with unexpected stable magnetization at room temperature. This striking state is assigned to significant modifications of the magnetic properties arising from metastable lattice defects in the core of the nanoparticles as concluded by calculations and atomic structural characterization. Also related with the structural defects, we find that the magnetic state of Fe and Co nanoparticles can be tuned by thermal treatment enabling one to tailor their magnetic properties for applications. This work demonstrates the importance of complementary single particle investigations for a better understanding of nanoparticle magnetism and for full exploration of their potential for applications.

cond-mat.mes-hall

Strain-induced structural instability in FeRh

We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a ferromagnetic (FM) phase at 350K, and its strain dependence is of interest for tuning the transition temperature to the room-temperature operating conditions of typical memory devices. We find an unusually strong dependence of the structural energetics on the choice of exchange-correlation functional, with the usual local density approximation (LDA) yielding the wrong ground-state structure, and generalized gradient (GGA) extensions being in better agreement with the bulk experimental structure. Using the GGA we show the existence of a metastable face-centered-cubic (fcc)-like AFM structure that is reached from the ground state body-centered-cubic (bcc) AFM structure by following the epitaxial Bain path. We predict that this metastable fcc-like structure has a significantly higher conductivity than the bcc AFM phase. We show that the behavior is well described using non-linear elasticity theory, which captures the softening and eventual sign change of the orthorhombic shear modulus under compressive strain, consistent with this structural instability. Finally, we predict the existence of an additional unit-cell-doubling lattice instability, which should be observable at low temperature.

cond-mat.mtrl-sci

A probabilistic explanation for the size-effect in crystal plasticity

In this work, the well known power-law relation between strength and sample size, $d^{-n}$, is derived from the knowledge that a dislocation network exhibits scale-free behaviour and the extreme value statistical properties of an arbitrary distribution of critical stresses. This approach yields $n=(τ+1)/(α+1)$, where $α$ reflects the leading order algebraic exponent of the low stress regime of the critical stress distribution and $τ$ is the scaling exponent for intermittent plastic strain activity. This quite general derivation supports the experimental observation that the size effect paradigm is applicable to a wide range of materials, differing in crystal structure, internal microstructure and external sample geometry.

cond-mat.mtrl-sci