We demonstrate that highly surface-sensitive supersonic rare-gas (He, Ar, and Xe) atom scattering, in both the quantum and classical regimes, can probe and quantify the interlayer interactions between graphene monolayers and metal substrates in terms of the Debye temperature corresponding to the surface normal vibration, and the surface effective mass. As models of the strongly and weakly interacting graphene, we investigated two systems, graphene on Ru(0001) and Pt(111), respectively. The experimental data for Ar and Xe are compared with the results from theoretical simulations based on the classical smooth surface model. For gr/Pt(111) we find that the scattering pattern of the rare-gas beam, including the Debye-Waller attenuation of the He beam, are quite similar to that from highly oriented pyrolytic graphite (HOPG); this suggests that the graphene-Pt(111) interaction is much like a van der Waals interaction. On the contrary, for the gr/Ru(0001) system, we find a smaller Debye-Waller attenuation and a larger surface effective mass, indicating that graphene on Ru(0001) is tightly bonded to the substrate. Furthermore, asymmetrical spectral shapes in the Ar and Xe scattering spectra from gr/Ru(0001) are interpreted as a result of the lateral distribution of the interlayer interaction corresponding to the moiré pattern. It is found that the “valley” region of the moiré pattern has high effective mass reflecting stronger bonding to the substrate, contributing to the high reflectivity of the He beam reported for this system. On the other hand, the effective mass of the “hill” region is found to be similar to that of HOPG, indicating that this region is well decoupled from the substrate. These results demonstrate a unique capability of atom scattering to probe and evaluate the molecule-substrate interaction and its spatial distributions.

We presented a high-sensitivity temperature detection using an implanted single nitrogen-vacancy (NV) center array in diamond. The high-order thermal Carr-Purcell-Meiboom-Gill (TCPMG) method was performed on the implanted single NV center in diamond in a static magnetic field. We demonstrated that under small detunings for the two driving microwave frequencies, the oscillation frequency of the induced fluorescence of the NV center equals approximately the average of the detunings of the two driving fields. On the basis of the conclusion, the zero-field splitting D for the NV center and the corresponding temperature could be determined. The experiment showed that the coherence time for the high-order TCPMG was effectively extended, particularly up to 108 $\mu \mathrm{s}$ for TCPMG-8, about 14 times the value 7.7 $\mu \mathrm{s}$ for thermal Ramsey method. This coherence time corresponded to a thermal sensitivity of 10.1 mK/${\mathrm{Hz}}^{1/2}$. We also detected the temperature distribution on the surface of a diamond chip in three different circumstances by using the implanted NV center array with the TCPMG-3 method. The experiment implies the feasibility of using implanted NV centers in high-quality diamonds to detect temperatures in biology, chemistry, materials science, and microelectronic systems with high sensitivity and nanoscale resolution.

We determine the nature of the magnetic order on the surface of a topological insulator (TI) which develops due to hexagonal warping and the resulting Fermi surface (FS) nesting in the presence of a repulsive Hubbard interaction. For this purpose we investigate the spin susceptibility and derive a Landau theory to compare the different accessible phases. For a nearly hexagonal FS and sufficiently strong interaction the magnetic ground state is formed by a skyrmion lattice, i.e., by a superposition of three helical spin density waves which preserves $C_3$ symmetry. The magnetic ground state is topologically nontrivial with a nonzero skyrmion charge, which can be stabilized and controlled by an applied magnetic field. By bringing the TI in proximity to a conventional superconductor one can engineer a $C_3$-symmetric topological superconductor. We explore the modification of the phase diagram as well as the mutual influence between the skyrmion structure and a multipolar distribution of supercurrents, which can provide information about the underlying skyrmion charge.

Bilayer graphene subjected to perpendicular magnetic and electric fields displays a subtle competition between different symmetry-broken phases, resulting from an interplay between the internal spin and valley degrees of freedom. The transition between different phases is often identified by an enhancement of the conductance. Here, we propose that the enhanced conductance at the transition is due to the appearance of robust conducting edge states at domain walls between the two phases. We formulate a criterion for the existence of such conducting edge states at the domain walls. For example, for a spontaneously layer polarized state at filling factor $\nu =2$, domain walls between regions of opposite polarization carry conducting edge modes. A microscopic analysis shows that lattice-scale interactions can favor such a layer polarized state.

We numerically investigate the critical behavior of the Hubbard model on the honeycomb and the $\pi$-flux lattice, which exhibits a direct transition from a Dirac semimetal to an antiferromagnetically ordered Mott insulator. We use projective auxiliary-field quantum Monte Carlo simulations and a careful finite-size scaling analysis that exploits approximately improved renormalization-group-invariant observables. This approach, which is successfully verified for the three-dimensional XY transition of the Kane-Mele-Hubbard model, allows us to extract estimates for the critical couplings and the critical exponents. The results confirm that the critical behavior for the semimetal to Mott insulator transition in the Hubbard model belongs to the Gross-Neveu-Heisenberg universality class on both lattices.

The recent discovery of high-temperature superconductivity in single-layer iron selenide has generated significant experimental interest for optimizing the superconducting properties of iron-based superconductors through the lattice modification. For simulating the similar effect by changing the chemical composition due to S doping, we investigate the superconducting properties of high-quality single crystals of ${\mathrm{FeSe}}_{1-x}{\mathrm{S}}_x$ ($x=0$, 0.04, 0.09, and 0.11) using magnetization, resistivity, the London penetration depth, and low temperature specific heat measurements. We show that the introduction of S to FeSe enhances the superconducting transition temperature $T_c$, anisotropy, upper critical field $H_{c2}$, and critical current density $J_c$. The upper critical field $H_{c2}\left(T\right)$ and its anisotropy are strongly temperature dependent, indicating a multiband superconductivity in this system. Through the measurements and analysis of the London penetration depth ${\lambda }_{ab}\left(T\right)$ and specific heat, we show clear evidence for strong coupling two-gap $s$-wave superconductivity. The temperature dependence of ${\lambda }_{ab}\left(T\right)$ calculated from the lower critical field and electronic specific heat can be well described by using a two-band model with $s$-wave-like gaps. We find that a $d$ wave and single-gap BCS theory under the weak-coupling approach cannot describe our experiments. The change of specific heat induced by the magnetic field can be understood only in terms of multiband superconductivity.

Attention is drawn to the possibility of obtaining the monochiral helimagnet MnSi in the magnetic single-domain state (SDS) in a zero magnetic field limit. It is shown that this metastable zero-field magnetic SDS can be achieved by a gradual decrease of the field down to zero after an initial transformation of MnSi to a spin-polarized state in a high field $H$. This can be achieved only for $\mathbf{H}\parallel \left[111\right]$. Investigations of MnSi in the magnetic SDS give us the possibility of determining the two components of the low field magnetic susceptibility of this compound, ${\chi }_{\perp }\left(T\right)$ and ${\chi }_{\parallel }\left(T\right)$ [${\chi }_{\perp }$ and ${\chi }_{\parallel }$ correspond to $\mathbf{H}\perp \left(111\right)$ and $\mathbf{H}\parallel \left(111\right)$ planes containing magnetic moments in a helically ordered state]. These results are compared with the macroscopic magnetic susceptibility of MnSi that was determined earlier for this compound, but only in a magnetic multidomain state. In addition, our results are compared with the data reported for some nonmonochiral helimagnets. The characteristic features of monochiral helimagnets are elucidated.

Charge-density-wave (CDW) order has long been interpreted as arising from a Fermi-surface instability in an initiating metallic phase. While phonon-electron coupling has been recently suggested to influence the formation of CDW order in quasi-two-dimensional (quasi-2D) systems, the presumed dominant importance of Fermi-surface nesting remains largely unquestioned in quasi-1D systems. A key step toward this quest requires a close-knit synthesis of spectroscopic evidence and microscopic knowledge about the electronic structure and the lattice dynamics in a prototypical system. Here we take this approach to show that phonon-electron coupling is also important for the CDW formation in a model quasi-1D system ${\mathrm{ZrTe}}_3$, with joint experimental and computational investigation. It is revealed that singularly strong coupling between particular lattice-distortion patterns and conduction electrons gives rise to anomalously broad Raman phonon peaks, which exhibit a distinct anisotropy in both the measured and the computed linewidths. The dependence of the coupling strength on electron momentum further dictates the opening of (partial) electronic gaps in the CDW phase. Since lattice distortion and electronic gaps are defining signatures of CDW order, our results demonstrate that while Fermi-surface nesting determines the CDW periodicity in this quasi-1D system, the conventional wisdom needs to be substantially supplemented by phonon-electron coupling for a quantitative understanding of the CDW order.

We propose an extension of the numerical approach for integrable Richardson-Gaudin models based on a new set of eigenvalue-based variables [A. Faribault et al., Phys. Rev. B 83, 235124 (2011); O. El Araby et al., Phys. Rev. B 85, 115130 (2012)]. Starting solely from the Gaudin algebra, the approach is generalized towards the full class of XXZ Richardson-Gaudin models. This allows for a fast and robust numerical determination of the spectral properties of these models, avoiding the singularities usually arising at the so-called singular points. We also provide different determinant expressions for the normalization of the Bethe ansatz states and form factors of local spin operators, opening up possibilities for the study of larger systems, both integrable and nonintegrable. These expressions can be written in terms of the new set of variables and generalize the results previously obtained for rational Richardson-Gaudin models [A. Faribault and D. Schuricht, J. Phys. A 45, 485202 (2012)] and Dicke-Jaynes-Cummings-Gaudin models [H. Tschirhart and A. Faribault,  J. Phys. A 47, 405204 (2014)]. Remarkably, these results are independent of the explicit parametrization of the Gaudin algebra, exposing a universality in the properties of Richardson-Gaudin integrable systems deeply linked to the underlying algebraic structure.

Physisorbed Kr layers on ${\mathrm{TiO}}_2$(110) surfaces were investigated by means of nuclear resonant scattering (NRS) of synchrotron radiation at Kr thicknesses ranging from multilayer to monolayer. The NRS intensity was measured as a function of the Kr exposure, from which the NRS signal corresponding to monolayer was estimated as 0.23 cps. The time spectra measured at various thicknesses showed a monotonous decay without any quantum beat features. The recoilless fraction $f$ evaluated from the analysis of the time spectrum revealed a substantial reduction upon temperature rise from 19 to 25 K. As its origin, an order-disorder phase transition of the monolayer Kr is proposed.

Hard x-ray photoelectron spectroscopy (HAXPES) and variable kinetic energy x-ray photoelectron spectroscopy (VKE-XPS) analyses have been performed on ten-unit-cell-thick ${\mathrm{La}}_{(1-\delta )}{\mathrm{Al}}_{(1+\delta )}{\mathrm{O}}_3$ films, with La:Al ratios of 1.1, 1.0, and 0.9, deposited on ${\mathrm{SrTiO}}_3$. Only Al-rich films are known to have a conductive interface. VKE-XPS, coupled with maximum entropy analysis, shows significant differences in the compositional depth profile among the Al-rich, La-rich, and stoichiometric films: significant La enrichment at the interface is observed in the La-rich and stoichiometric films, while the Al-rich film shows little to no intermixing. Additionally, the La-rich and stoichiometric films show a high concentration of Al at the surface, which is not observed in the Al-rich film. HAXPES valence band (VB) analysis shows a broadening of the VB for the Al-rich sample relative to the stoichiometric and La-rich samples. This broadening is consistent with an electric field across the Al-rich film. These results are consistent with a defect-driven electronic reconstruction.

We calculate the conduction-band structures and $n$-type thermoelectric transport properties for the ${\mathrm{TiO}}_2$ polymorphs rutile, anatase, and brookite from first principles within the constant-relaxation-time approximation. Although the Seebeck coefficient is nearly isotropic in all polymorphs, the power factor is anisotropic and takes its largest values along [100] in rutile and anatase and along [010] in brookite. We also identify the free-carrier concentrations and temperatures that maximize the power factor. Our results for the theoretical upper bounds of the figure of merit at high temperature show that optimized rutile exhibits thermoelectric conversion efficiency that is superior to anatase and brookite and can reach values desirable for waste-heat recovery applications.

Based on dynamical cluster approximation (DCA) quantum Monte Carlo simulations, we study the interaction-driven Mott metal-insulator transition (MIT) in the half-filled Hubbard model on the anisotropic two-dimensional triangular lattice, where the degree of frustration is varied between the unfrustrated case and the fully frustrated, isotropic triangular lattice. Upon increasing the DCA cluster size, we analyze the evolution of the MIT phase boundary as a function of frustration in the phase diagram spanned by the interaction strength and temperature, and provide a quantitative description of the MIT phase boundary in the triangular lattice Hubbard model. Qualitative differences in the phase boundary between the unfrustrated and fully frustrated cases are exhibited. In particular, a change in the sign of the phase boundary slope is observed, which via an impurity cluster eigenstate analysis, may be related to a change in the nature of the insulating state. We discuss our findings within the scenario that the triangular lattice electron system might exhibit a quantum critical Mott MIT with a possible quantum spin liquid insulating state, such as considered for the organic charge transfer salts $\kappa \text{−}{\left(\mathrm{BEDT}\text{−}\mathrm{TTF}\right)}_2{\mathrm{Cu}}_2{\left(\mathrm{CN}\right)}_3$ and ${\mathrm{EtMe}}_3\mathrm{Sb}{\left[\mathrm{Pd}{\left(\mathrm{dmit}\right)}_2\right]}_2$.

We investigate band gaps, equilibrium structures, and phase stabilities of several bulk polymorphs of wide-gap oxide semiconductors ZnO, ${\mathrm{TiO}}_2,{\mathrm{ZrO}}_2$, and ${\mathrm{WO}}_3$. We are particularly concerned with assessing the performance of hybrid functionals built with the fraction of Hartree-Fock exact exchange obtained from the computed electronic dielectric constant of the material. We provide comparison with more standard density-functional theory and $\mathit{GW}$ methods. We finally analyze the chemical reduction of ${\mathrm{TiO}}_2$ into ${\mathrm{Ti}}_2{\mathrm{O}}_3$, involving a change in oxide stoichiometry. We show that the dielectric-dependent hybrid functional is generally good at reproducing both ground-state (lattice constants, phase stability sequences, and reaction energies) and excited-state (photoemission gaps) properties within a single, fully ab initio framework.

Using a combined analytical and numerical approach, we study the collective spin and orbital excitations in a spin-orbital chain under a crystal field. Irrespective of the crystal-field strength, these excitations can be universally described by fractionalized fermions. The fractionalization phenomenon persists and contrasts strikingly with the case of a spin chain, where fractionalized spinons cannot be individually observed but confined to form magnons in a strong magnetic field. In the spin-orbital chain, each of the fractional quasiparticles carries both spin and orbital quantum numbers, and the two variables are always entangled in the collective excitations. Our result further shows that the recently reported separation phenomenon occurs when crystal fields fully polarize the orbital degrees of freedom. In this case, however, the spinon and orbiton dynamics are decoupled solely because of a redefinition of the spin and orbital quantum numbers.

Interesting phases of quantum matter often arise when the constituent particles—electrons in solids—interact strongly. Such strongly interacting systems are, however, quite rare and occur only in extreme environments of low spatial dimension, low temperatures or intense magnetic fields. Here we introduce a system in which the fundamental electrons interact only weakly but the low energy effective theory is described by strongly interacting Majorana fermions. The system consists of an Abrikosov vortex lattice in the surface of a strong topological insulator and is accessible experimentally using presently available technology. The simplest interactions between the Majorana degrees of freedom exhibit an unusual nonlocal structure that involves four distinct Majorana sites. We formulate simple lattice models with this type of interaction and find exact solutions in certain physically relevant one- and two-dimensional geometries. In other cases we show how our construction allows for the experimental realization of interesting spin models previously only theoretically contemplated.

$B20$ compounds are a class of cubic helimagnets harboring nontrivial spin textures such as spin helices and skyrmions. It has been well understood that the Dzyaloshinskii-Moriya (DM) interaction is the origin of these textures, and the physics behind the DM interaction is the spin-orbit coupling (SOC). However, the SOC shows its effect not only on the spins but also on the electrons. In this paper, we will discuss the effects of the SOC on the electron and spin transports in $B20$ compounds. An effective Hamiltonian is presented from symmetry analysis, and the spin-orbit coupling therein shows anomalous behaviors in anisotropic magnetoresistance and helical resistance. New effects such as an inverse spin-galvanic effect are proposed, and the origin of the DM interaction is discussed.