We predict mechanochemical formation of heterogeneous diamond structures from rapid uniaxial compression in graphite using quantum molecular dynamics simulations. Ensembles of simulations reveal the formation of different diamondlike products starting from thermal graphite crystal configurations. We identify distinct classes of final products with characteristic probabilities of formation, stress states, and electrical properties and show through simulations of rapid quenching that these products are nominally stable and can be recovered at room temperature and pressure. Some of the diamond products exhibit significant disorder and partial closure of the energy gap between the highest-occupied and lowest-unoccupied molecular orbitals (i.e., the HOMO-LUMO gap). Seeding atomic vacancies in graphite significantly biases toward forming products with small HOMO-LUMO gap. We show that a strong correlation between the HOMO-LUMO gap and disorder in tetrahedral bonding configurations informs which kinds of structural defects are associated with gap closure. The rapid diffusionless transformation of graphite is found to lock vacancy defects into the final diamond structure, resulting in configurations that prevent $s{p}^3$ bonding and lead to localized HOMO and LUMO states with a small gap.

We study an integrable Hamiltonian reducible to free fermions, which is subjected to an imperfect periodic driving with the amplitude of driving (or kicking), randomly chosen from a binary distribution like a coin-toss problem. The randomness present in the driving protocol destabilizes the periodic steady state reached in the limit of perfectly periodic driving, leading to a monotonic rise of the stroboscopic residual energy with the number of periods $\left(N\right)$ for such Hamiltonians. We establish that a minimal deviation from the perfectly periodic driving in the present case using such protocols would always result in a bounded heating up of the system with $N$ to an asymptotic finite value. Exploiting the completely uncorrelated nature of the randomness and the knowledge of the stroboscopic Floquet operator in the perfectly periodic situation, we provide an exact analytical formalism to derive the disorder averaged expectation value of the residual energy through a disorder operator. This formalism not only leads to an immense numerical simplification, but also enables us to derive an exact analytical form for the residual energy in the asymptotic limit which is universal, i.e., independent of the bias of coin-toss and the protocol chosen. Furthermore, this formalism clearly establishes the nature of the monotonic growth of the residual energy at intermediate $N$ while clearly revealing the possible nonuniversal behavior of the same.

We have studied spinning superfluid ${}^4\mathrm{He}$ nanodroplets at zero temperature using density functional theory. Due to the irrotational character of the superfluid flow, the shapes of the spinning nanodroplets are very different from those of a viscous normal fluid drop in steady rotation. We show that when vortices are nucleated inside the superfluid droplets, their morphology, which evolves from axisymmetric oblate to triaxial prolate to two-lobed shapes, is in good agreement with experiments. The presence of vortex arrays confers to the superfluid droplets the rigid-body behavior of a normal fluid in steady rotation, and this is the ultimate reason for the surprising good agreement between recent experiments and the classical models used for their description.

We address the problem of nonequilibrium superconductivity in the presence of microwave irradiation. Using contemporary analytical methods, we refine the old Eliashberg theory and generalize it to arbitrary temperatures $T$ and frequencies $\omega$. Microwave radiation is shown to stimulate superconductivity in a bounded region in the $(\omega ,T)$ plane. In particular, for $T<0.47T_c$ and for $\hslash \omega >3.3k_B{T}_c$ superconductivity is always suppressed by a weak ac driving. We also study the supercurrent in the presence of microwave irradiation and establish the criterion for the critical current enhancement. Our results can be qualitatively interpreted in terms of the interplay between the kinetic (“stimulation” vs “heating”) and spectral (“depairing”) effects of the microwaves.

We have experimentally observed an eddy current of exciton polaritons arising in a cylindrical GaAs/AlGaAs pillar microcavity under the nonresonant optical pumping. The polariton current manifests itself in a Mach-Zehnder interferometry image as a characteristic spiral that occurs due to the interference of the light emitted by an exciton-polariton condensate with a reference spherical wave. We have experimentally observed the condensates with the topological charges $m=+1,m=-1$, and $m=-2$. The interference pattern corresponding to the $m=-2$ current represents the twin spiral emerging from the center of the micropillar. The switching between the current modes with different topological charges is achieved by a weak displacement of the pump spot.

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of $\mathrm{BiV}{\mathrm{O}}_4$ films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of $\mathrm{BiV}{\mathrm{O}}_4$ films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at $\mathrm{V}{L}_{3,2}$ edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of $\mathrm{BiV}{\mathrm{O}}_4$, hence its potential use as a photoanode for water splitting.

We study the second-order nonlinear optical response of a Weyl semimetal (WSM), i.e., a three-dimensional metal with linear band touchings acting as pointlike sources of Berry curvature in momentum space, termed “Weyl-Berry monopoles.” We first show that the anomalous second-order photocurrent of WSMs can be elegantly parametrized in terms of Weyl-Berry dipole and quadrupole moments. We then calculate the corresponding charge and node conductivities of WSMs with either broken time-reversal invariance or inversion symmetry. In particular, we predict a dissipationless second-order anomalous node conductivity for WSMs belonging to the TaAs family.

The Fano effect is a ubiquitous phenomenon arising from interference between a discrete energy state and an energy continuum. We explore this effect in an artificial molecule, namely, two lateral quantum dots (QDs) fabricated from a two-dimensional electron gas system and coupled in series. When the coupling between the leads and QDs is small, the charge stability diagram of the system shows a honeycomb lattice structure that is characteristic of a double QD system. As the coupling increases, a honeycomb structure consisting of the Fano resonances emerges. A numerical simulation based on the T-matrix method can satisfactorily reproduce our experimental observation. This report constitutes a clear example of the ubiquitous nature of the Fano effect in mesoscopic transport.

We theoretically study the spin-resolved subgap transport properties of a Cooper pair splitter based on a triple quantum dot attached to superconducting and ferromagnetic leads. Using the Keldysh Green's function formalism, we analyze the dependence of the Andreev conductance, Cooper pair splitting efficiency, and tunnel magnetoresistance on the gate and bias voltages applied to the system. We show that the system's transport properties are strongly affected by spin dependence of tunneling processes and quantum interference between different local and nonlocal Andreev reflections. We also study the effects of finite hopping between the side quantum dots on the Andreev current. This allows for identifying the optimal conditions for enhancing the Cooper pair splitting efficiency of the device. We find that the splitting efficiency exhibits a nonmonotonic dependence on the degree of spin polarization of the leads and the magnitude and type of hopping between the dots. An almost perfect splitting efficiency is predicted in the nonlinear response regime when the energies of the side quantum dots are tuned to the energies of the corresponding Andreev bound states. In addition, we analyzed features of the tunnel magnetoresistance (TMR) for a wide range of the gate and bias voltages, as well as for different model parameters, finding the corresponding sign changes of the TMR in certain transport regimes. The mechanisms leading to these effects are thoroughly discussed.

We theoretically describe electric transport through an optically active quantum dot embedded in a single-mode cavity, and coupled to source-drain particle reservoirs. The populations of various many-body configurations (e.g., excitons, trions, biexciton) and the photon-number occupancies are calculated from a master equation which is derived in the basis of dressed states. These take into account both the Coulomb and the light-matter interaction. The former is essential in the description of the transport, while for the latter we identify situations in which it can be neglected in the expression of tunneling rates. The fermionic nature of the particle reservoirs plays an important role in the argument. The master equation is numerically solved for the $s$-shell many-body configurations of disk-shaped quantum dots. If the cavity is tuned to the biexciton-exciton transition, the most efficient optical processes take place in a three-level $\mathrm{\Lambda }$ system. The alternative exciton–ground-state route is inhibited as nonresonant due to the biexciton binding energy. The steady-state current is analyzed as a function of the photon frequency and the coupling to the leads. An unexpected feature appears in its dependence on the cavity loss rate, which turns out to be nonmonotonic.

Hexagonal ${\mathrm{HoMnO}}_3$, a two-dimensional Heisenberg antiferromagnet, has been studied via inelastic neutron scattering. A simple Heisenberg model with a single-ion anisotropy describes most features of the spin-wave dispersion curves. However, there is shown to be a renormalization of the magnon energies located at around 11 meV. Since both the magnon-magnon interaction and magnon-phonon coupling can affect the renormalization in a noncollinear magnet, we have accounted for both of these couplings by using a Heisenberg XXZ model with $1/S$ expansions [1] and the Einstein site phonon model [13], respectively. This quantitative analysis leads to the conclusion that the renormalization effect primarily originates from the magnon-phonon coupling, while the spontaneous magnon decay due to the magnon-magnon interaction is suppressed by strong two-ion anisotropy.

$\mathrm{PtS}{\mathrm{n}}_4$ with extremely large magnetoresistance (XMR), a fascinating topological material platform, hosts a novel topological structure and Dirac node arcs, in which the Dirac nodes form closed loops in the momentum space. Here we performed the angular dependent magnetoresistivity (AMR), Hall effect, heat capacity measurements, and first-principles calculations to study the electronic properties of topological semimetal $\mathrm{PtS}{\mathrm{n}}_4$. There are some interesting observations on $\mathrm{PtS}{\mathrm{n}}_4$. (1) In the different experimental probes, we observed the anomalies around $T\sim 55\mathrm{K}$. Significant changes of the transport results and the heat capacity have been observed, indicating successive Fermi surface reconstruction induced by the temperature. It means there is Lifshitz transition (LT) induced by the temperature in $\mathrm{PtS}{\mathrm{n}}_4$. (2) The perfect compensation between the electron and hole has been found around $T\sim 30\mathrm{K}$, where the XMR appears, which is confirmed by the Hall effect measurements and the first-principles calculations. The XMR effect in $\mathrm{PtS}{\mathrm{n}}_4$ is suggested to originate from the combination of the electron-hole compensation and a particular orbital texture on the electron pocket. Meanwhile, we also found that LT seems to serve as a knob for the novel topological properties in two-dimensional (2D) topological semimetals (TSMs).

The effect of a local Kondo coupling and Hubbard interaction on the topological phase of the one-dimensional topological Kondo insulator (TKI) is numerically investigated using the infinite matrix-product state density-matrix renormalization group algorithm. The ground state of the TKI is a symmetry-protected topological (SPT) phase protected by inversion symmetry. It is found that on its own, the Hubbard interaction that tends to force fermions into a one-charge per site order is insufficient to destroy the SPT phase. However, when the local Kondo Hamiltonian term that favors a topologically trivial ground state with a one-charge per site order is introduced, the Hubbard interaction assists in the destruction of the SPT phase. This topological phase transition occurs in the charge sector where the correlation length of the charge excitation diverges while the correlation length of the spin excitation remains finite. The critical exponents, central charge, and the phase diagram separating the SPT phase from the topologically trivial phase are presented.

This paper studies phonon anharmonicities related to the phonon combination ${\mathrm{LOZO}}^{\prime }$ and phonon overtone 2ZO in a $AB$-stacked bilayer graphene (2LG). The results explain in detail the rule of the ${\mathrm{ZO}}^{\prime }$ layer breathing mode in the 2LG electron and phonon relaxations, especially at temperatures above 543 K, where anomalous behaviors are observed for the ${\mathrm{LOZO}}^{\prime }$ frequencies, linewidths (and therefore, lifetimes), and integrated areas. Surprisingly, the 2ZO frequencies and linewidths do not show any dependence with temperature (ZO is the out-of-phase vibration of the layers). This result is explained via nonsymmetric lattice distortions and via the almost null $\mathrm{Gr}\ddot{\text{u}}\mathrm{neisen}$ parameter associated to the ZO mode. Recently, the correct assignments for the phonon combination and overtone modes studied here have been put in debate once again in a theoretical work by Popov [Carbon 91, 436 (2015)]. This work shows how temperature-dependent Raman spectroscopy is used to propose a solution for these recent assignment problems. Finally, although 2LG is the system used here, the measurements and discussions to approach electron and phonon relaxations have the potential to be extended to any other multilayered structure that presents ${\mathrm{ZO}}^{\prime }$- and ZO-like phonon modes.

We propose a characterization tool for studies of the band structure of new materials promising for the observation of topological phase transitions. We show that a specific resonant feature in the entropy per electron dependence on the chemical potential may be considered as a fingerprint of the transition between topological and trivial insulator phases. The entropy per electron in a honeycomb two-dimensional crystal of germanene subjected to the external electric field is obtained from the first-principles calculation of the density of electronic states and the Maxwell relation. We demonstrate that, in agreement with the recent prediction of the analytical model, strong spikes in the entropy per particle dependence on the chemical potential appear at low temperatures. They are observed at the values of the applied bias both below and above the critical value that corresponds to the transition between the topological insulator and trivial insulator phases, whereas the giant resonant feature in the vicinity of the zero chemical potential is strongly suppressed at the topological transition point, in the low-temperature limit. In a wide energy range, the van Hove singularities in the electronic density of states manifest themselves as zeros in the entropy per particle dependence on the chemical potential.

Standard approaches to magnetomechanical interactions in thermal magnetic crystalline solids involve Landau functionals in which the lattice anisotropy and the resulting magnetization easy axes are taken explicitly into account. In glassy systems one needs to develop a theory in which the amorphous structure precludes the existence of an easy axis, and in which the constituent particles are free to respond to their local amorphous surroundings and the resulting forces. We present a theory of all the mixed responses of an amorphous solid to mechanical strains and magnetic fields. Atomistic models are proposed in which we test the predictions of magnetostriction for both bulk and nanofilm amorphous samples in the paramagnetic phase. The application to nanofilms with emergent self-affine free interfaces requires a careful definition of the film “width” and its change due to the magnetostriction effect.