Publications

Confining carbyne to a space that allows for stability and controlled reactivity is a very appealing approach to have access to materials with tunable optical and electronic properties without rival. Here, we show how controlling the diameter of single-walled carbon nanotubes opens the possibility to grow a confined carbyne with a defined and tunable band gap. The metallicity of the tubes has a minimal influence on the formation of the carbyne, whereas the diameter plays a major role in the growth. It has been found that the properties of confined carbyne can be tailored independently from its length and how these are mostly determined by its interaction with the carbon nanotube. Molecular dynamics simulations have been performed to interpret these findings. Furthermore, the choice of a single-walled carbon nanotube host has been proven crucial even to synthesize an enriched carbyne with the smallest energy gap currently reported and with remarkable homogeneity.

We develop a continuum mechanics model of blastocyst hatching. The blastocyst and the zona pellucida are modeled as concentric thick-walled initially spherical shells embedded in a viscous medium. Each shell is characterized by a nonlinear elastic–viscous–constitutive relation. The stiffer outer shell (the zona pellucida) contains an opening. The softer inner shell (the blastocyst) is subject to a continually increasing pressure, which can eventually drive the escape of the inner shell from the outer shell (“hatching”). The focus is on the continuum mechanics modeling framework and illustrating the sort of quantitative predictions that can be made. Numerical examples are presented for the predicted dependence of the evolution of the escape process on values of parameters characterizing the constitutive response of the shells, on the viscosity of the external medium and on the size of the opening in the zona pellucida.

We extend finite-temperature tensor network methods to compute Matsubara imaginary-time correlation functions, building on the minimally entangled typical thermal states (METTS) and purification algorithms. While imaginary-time correlation functions are straightforward to formulate with these methods, care is needed to avoid convergence issues that would result from naive estimators. As a benchmark, we study the single-band Anderson impurity model, even though the algorithm is quite general and applies to lattice models. The special structure of the impurity model benchmark system and our choice of basis enable techniques such as reuse of high-probability METTS for increasing algorithm efficiency. The results are competitive with state-of-the-art continuous time Monte Carlo. We discuss the behavior of computation time and error as a function of the number of purified sites in the Hamiltonian.

We study the superconducting gap function of Sr

We present a generic procedure for quantifying the interplay of electronic and lattice degrees of freedom in photo-doped insulators through a comparative analysis of theoretical many-body simulations and time- and angle-resolved photoemission spectroscopy (TR-ARPES) of the transient response of the candidate excitonic insulator Ta2NiSe5. Our analysis demonstrates that the electron-electron interactions dominate the electron-phonon ones. In particular, a detailed analysis of the TRARPES spectrum enables a clear separation of the dominant broadening (electronic lifetime) effects from the much smaller bandgap renormalization. Theoretical calculations show that the observed strong spectral broadening arises from the electronic scattering of the photo-excited particle-hole pairs and cannot be accounted for in a model in which electron-phonon interactions are dominant. We demonstrate that the magnitude of the weaker subdominant bandgap renormalization sensitively depends on the distance from the semiconductor/semimetal transition in the high-temperature state, which could explain apparent contradictions between various TR-ARPES experiments. The analysis presented here indicates that electron-electron interactions play a vital role (although not necessarily the sole one) in stabilizing the insulating state.

We present a comprehensive dynamical mean field study of the moiré Hubbard model, which is believed to represent the physics of moiré bilayer transition metal dichalcogenides. In these materials, important aspects of the band structure including the bandwidth and the order and location of van Hove singularities can be tuned by varying the interlayer potential. We present a magnetic and metal-insulator phase diagram and a detailed study of the dependence of the resistivity on temperature, band filling and interlayer potential. We find that transport displays Fermi liquid, strange metal and quantum critical behaviors in distinct regions of the phase diagram. We show how magnetic order affects the resistivity. Our results elucidate the physics of the correlated states and the metal-insulator continuous transition recently observed in twisted homobilayer WSe

We present a review of the Sachdev-Ye-Kitaev (SYK) model of compressible quantum many-body systems without quasiparticle excitations, and its connections to various theoretical studies of non-Fermi liquids in condensed matter physics. The review is placed in the context of numerous experimental observations on correlated electron materials. Strong correlations in metals are often associated with their proximity to a Mott transition to an insulator created by the local Coulomb repulsion between the electrons. We explore the phase diagrams of a number of models of such local electronic correlation, employing a dynamical mean field theory in the presence of random spin exchange interactions. Numerical analyses and analytical solutions, using renormalization group methods and expansions in large spin degeneracy, lead to critical regions which display SYK physics. The models studied include the single-band Hubbard model, the t-J model and the two-band Kondo-Heisenberg model in the presence of random spin exchange interactions. We also examine non-Fermi liquids obtained by considering each SYK model with random four-fermion interactions to be a multi-orbital atom, with the SYK-atoms arranged in an infinite lattice. We connect to theories of sharp Fermi surfaces without any low-energy quasiparticles in the absence of spatial disorder, obtained by coupling a Fermi liquid to a gapless boson; a systematic large N theory of such a critical Fermi surface, with SYK characteristics, is obtained by averaging over an ensemble of theories with random boson-fermion couplings. Finally, we present an overview of the links between the SYK model and quantum gravity and end with an outlook on open questions.

We report measurements of the Seebeck effect in both the ab plane (S

We perform nuclear magnetic resonance (NMR) measurements of the oxygen-17 Knight shifts for Sr

We introduce a systematically improvable family of variational wave functions for the simulation of strongly correlated fermionic systems. This family consists of Slater determinants in an augmented Hilbert space involving "hidden" additional fermionic degrees of freedom. These determinants are projected onto the physical Hilbert space through a constraint which is optimized, together with the single-particle orbitals, using a neural network parametrization. This construction draws inspiration from the success of hidden particle representations but overcomes the limitations associated with the mean-field treatment of the constraint often used in this context. Our construction provides an extremely expressive family of wave functions, which is proven to be universal. We apply this construction to the ground state properties of the Hubbard model on the square lattice, achieving levels of accuracy which are competitive with and in some cases superior to state-of-the-art computational methods.