arXiv subjects

Brian Moritz

Publications and source records attributed to Brian Moritz.

At least 73 records · Page 4Linked to original sources

arXiv2019

Frustrated spin order and stripe fluctuations in FeSe

The charge and spin dynamics of the structurally simplest iron-based superconductor, FeSe, may hold the key to understanding the physics of high temperature superconductors in general. Unlike the iron pnictides, FeSe lacks long range magnetic order in spite of a similar structural transition around 90\,K. Here, we report results of Raman scattering experiments as a function of temperature and polarization and simulations based on exact diagonalization of a frustrated spin model. Both experiment and theory find a persistent low energy peak close to 500cm$^{-1}$ in $B_{1g}$ symmetry, which softens slightly around 100\,K, that we assign to spin excitations. By comparing with results from neutron scattering, this study provides evidence for nearly frustrated stripe order in FeSe.

cond-mat.str-el↗

arXiv2019

Frustrated Magnetism from Local Moments in FeSe

We investigate properties of a spin-1 Heisenberg model with extended and biquadratic interactions, which captures crucial aspects of the low energy physics in FeSe. While we show that the model exhibits a rich phase diagram with four different magnetic ordering tendencies, we identify a parameter regime with strong competition between Nèel, staggered dimer, and stripe-like magnetic fluctuations, accounting for the physical properties of FeSe. Through the comparison of numerically evaluated spin and Raman response with experiments, we find evidence for enhanced magnetic frustration between Nèel and co-linear stripe ordering tendencies, which increases with increasing temperature. The explanation of these spectral behaviors with this frustrated spin model supports the idea of local spin interactions in FeSe.

cond-mat.str-el↗

arXiv2019

Theory for Time-Resolved Resonant Inelastic X-ray Scattering

Time-resolved measurements of materials provide a wealth of information on quasiparticle dynamics, and have been the focus of optical studies for decades. In this paper, we develop a theory for explicitly evaluating time-resolved resonant inelastic X-ray scattering (tr-RIXS). We apply the theory to a non-interacting electronic system and reveal the particle-hole spectrum and its evolution during the pump pulse. With a high-frequency pump, the frequency and amplitude dependence analysis of the spectra agrees well with the steady-state assumptions and Floquet excitations. When the pump frequency is low, the spectrum extracts real-time dynamics of the particle-hole continuum in momentum space. These results verify the correctness of our theory and demonstrate the breadth of physical problems that tr-RIXS could shed light on.

cond-mat.str-el↗

arXiv2019

Strange metallicity in the doped Hubbard model

Strange or bad metallic transport, defined by its incompatibility with conventional quasiparticle pictures, is a theme common to strongly correlated materials and ubiquitous in many high temperature superconductors. The Hubbard model represents a minimal starting point for modeling strongly correlated systems. Here we demonstrate strange metallic transport in the doped two-dimensional Hubbard model using determinantal quantum Monte Carlo calculations. Over a wide range of doping, we observe resistivities exceeding the Mott-Ioffe-Regel limit with linear temperature dependence. The temperatures of our calculations extend to as low as 1/40 the non-interacting bandwidth, placing our findings in the degenerate regime relevant to experimental observations of strange metallicity. Our results provide a foundation for connecting theories of strange metals to models of strongly correlated materials.

cond-mat.str-el↗

arXiv2018

Spectroscopic Signature of Oxidized Oxygen States in Peroxides

Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyond conventional absorption spectroscopy. Here, enabled by high-efficiency mapping of resonant inelastic X-ray scattering (mRIXS) coupled with first-principles calculations, we report distinct mRIXS features of the oxygen states in Li2O, Li2CO3, and especially, Li2O2, which are successfully reproduced and interpreted theoretically. mRIXS signals are dominated by valence-band decays in Li2O and Li2CO3. However, the oxidized oxygen in Li2O2 leads to partially unoccupied O-2p states that yield a specific intra-band excitonic feature in mRIXS. Such a feature displays a specific emission energy in mRIXS, which disentangles the oxidized oxygen states from the dominating transition-metal/oxygen hybridization features in absorption spectroscopy, thus providing critical hints for both detecting and understanding the oxygen redox reactions in transition-metal oxide based battery materials.

physics.chem-ph↗

arXiv2018

Rapid change of superconductivity and electron-phonon coupling through 19% doping in Bi2212

Electron-boson coupling plays a key role in superconductivity for many systems. However, in copper-based high-temperature ($T_c$) superconductors, its relation to superconductivity remains controversial despite strong spectroscopic fingerprints. Here we use angle-resolved photoemission spectroscopy to find a striking correlation between the superconducting gap and the bosonic coupling strength near the Brillouin zone boundary in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$. The bosonic coupling strength rapidly increases from the overdoped Fermi-liquid regime to the optimally doped strange metal, concomitant with the quadrupled superconducting gap and the doubled gap-to-Tc ratio across the pseudogap boundary. This synchronized lattice and electronic response suggests that the effects of electronic interaction and the electron-phonon coupling become intimately entangled upon entering the strange metal regime, which may in turn drive a stronger superconductivity.

cond-mat.str-el↗

arXiv2018

Theoretical Understanding of Photon Spectroscopies in Correlated Materials In and Out of Equilibrium

Photon-based spectroscopies have had a significant impact on both fundamental science and applications by providing an efficient approach to investigate the microscopic physics of materials. Together with the development of synchrotron X-ray techniques, theoretical understanding of the spectroscopies themselves and the underlying physics that they reveal has progressed through advances in numerical methods and scientific computing. In this review, we provide an overview of theories for angle-resolved photoemission spectroscopy and resonant inelastic X-ray scattering applied to quantum materials. First, we discuss methods for studying equilibrium spectroscopies, including first-principles approaches, numerical many-body methods and a few analytical advances. Second, we assess the recent development of ultrafast techniques for out-of-equilibrium spectroscopies, from characterizing equilibrium properties to generating transient or metastable states, mainly from a theoretical point of view. Finally, we identify the main challenges and provide an outlook for the future direction of the field.

cond-mat.str-el↗

arXiv2018

Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model

Understanding spin excitations and their connection to unconventional superconductivity have remained a central issue since the discovery of the cuprates. Direct measurement of the dynamical spin structure factor in the parent compounds can provide key information on important interactions relevant in the doped regime, and variations in the magnon dispersion have been linked closely to differences in crystal structure between families of cuprate compounds. Here, we elucidate the relationship between spin excitations and various controlling factors thought to be significant in high-$T_c$ materials by systematically evaluating the dynamical spin structure factor for the three-orbital Hubbard model, revealing differences in the spin dispersion along the Brillouin zone axis and the diagonal. Generally, we find that the absolute energy scale and momentum dependence of the excitations primarily are sensitive to the effective charge-transfer energy, while changes in the on-site Coulomb interactions have little effect on the details of the dispersion. In particular, our result highlights the splitting between spin excitations along the axial and diagonal directions in the Brillouin zone. This splitting decreases with increasing charge-transfer energy and correlates with changes in the apical oxygen position, and general structural variations, for different cuprate families.

cond-mat.str-el↗

arXiv2018

Stripe order from the perspective of the Hubbard model

A microscopic understanding of the strongly correlated physics of the cuprates must account for the translational and rotational symmetry breaking that is present across all cuprate families, commonly in the form of stripes. Here we investigate emergence of stripes in the Hubbard model, a minimal model believed to be relevant to the cuprate superconductors, using determinant quantum Monte Carlo (DQMC) simulations at finite temperatures and density matrix renormalization group (DMRG) ground state calculations. By varying temperature, doping, and model parameters, we characterize the extent of stripes throughout the phase diagram of the Hubbard model. Our results show that including the often neglected next-nearest-neighbor hopping leads to the absence of spin incommensurability upon electron-doping and nearly half-filled stripes upon hole-doping. The similarities of these findings to experimental results on both electron and hole-doped cuprate families support a unified description across a large portion of the cuprate phase diagram.

cond-mat.str-el↗

arXiv2018

Breakdown of Migdal-Eliashberg theory; a determinant quantum Monte Carlo study

The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two dimensional Holstein model are computed using determinant quantum Monte Carlo (DQMC), and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, $E_F$, which are still above the SC transition. We find that the SC susceptibility at low $T$ agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling $λ_0 \approx 0.4$ but deviates dramatically for larger $λ_0$. We find that for large $λ_0$ and small phonon frequency $ω_0 \ll E_F$ CDW ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.

cond-mat.str-el↗

arXiv2018

Influence of Magnetism and Correlation on the Spectral Properties of Doped Mott Insulators

Unravelling the nature of doping-induced transition between a Mott insulator and a weakly correlated metal is crucial to understanding novel emergent phases in strongly correlated materials. For this purpose, we study the evolution of spectral properties upon doping Mott insulating states, by utilizing the cluster perturbation theory on the Hubbard and t-J-like models. Specifically, a quasi-free dispersion crossing the Fermi level develops with small doping, and it eventually evolves into the most dominant feature at high doping levels. Although this dispersion is related to the free electron hopping, our study shows that this spectral feature is in fact influenced inherently by both electron-electron correlation and spin exchange interaction: the correlation destroys coherence, while the coupling between spin and mobile charge restores it in the photoemission spectrum. Due to the persistent impact of correlations and spin physics, the onset of gaps or the high-energy anomaly in the spectral functions can be expected in doped Mott insulators.

cond-mat.str-el↗

arXiv2017

Microscopic pairing fingerprint of the iron-based superconductor ${\rm Ba_{1-x}K_xFe_2As_2}$

Resolving the microscopic pairing mechanism and its experimental identification in unconventional superconductors is among the most vexing problems of contemporary condensed matter physics. We show that Raman spectroscopy provides an avenue for this quest by probing the structure of the pairing interaction at play in an unconventional superconductor. As we study the spectra of the prototypical Fe-based superconductor ${\rm Ba_{1-x}K_xFe_2As_2}$ for $0.22\le x \le 0.70$ in all symmetry channels, Raman spectroscopy allows us to distill the leading $s$-wave state. In addition, the spectra collected in the $B_{1g}$ symmetry channel reveal the existence of two collective modes which are indicative of the presence of two competing, yet sub-dominant, pairing tendencies of $d_{x^2-y^2}$ symmetry type. A comprehensive functional Renormalization Group (fRG) and random-phase approximation (RPA) study on this compound confirms the presence of the two sub-leading channels, and consistently matches the experimental doping dependence of the related modes. The synopsis of experimental evidence and theoretical modelling supports a spin-fluctuation mediated superconducting pairing mechanism.

cond-mat.supr-con↗

arXiv2017

Dynamical Time-Reversal Symmetry Breaking and Photo-Induced Chiral Spin Liquids in Frustrated Mott Insulators

The search for quantum spin liquids in frustrated quantum magnets recently has enjoyed a surge of interest, with various candidate materials under intense scrutiny. However, an experimental confirmation of a gapped topological spin liquid remains an open question. Here, we show that circularly-polarized light can provide a novel knob to drive frustrated Mott insulators into a chiral spin liquid (CSL), realizing an elusive quantum spin liquid with topological order. We find that the dynamics of a driven Kagome Mott insulator is well-captured by an effective Floquet spin model, with heating strongly suppressed, inducing a scalar spin chirality $S_i \cdot (S_j \times S_k)$ term which dynamically breaks time-reversal while preserving SU(2) spin symmetry. We fingerprint the transient phase diagram and find a stable photo-induced CSL near the equilibrium state. The results presented suggest employing dynamical symmetry breaking to engineer quantum spin liquids and access elusive phase transitions that are not readily accessible in equilibrium.

cond-mat.str-el↗

arXiv2017

Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model

We present determinant quantum Monte Carlo simulations of the hole-doped single-band Hubbard-Holstein model on a square lattice, to investigate how quasiparticles emerge when doping a Mott insulator (MI) or a Peierls insulator (PI). The MI regime at large Hubbard interaction $U$ and small relative electron-phonon coupling strength $λ$ is quickly suppressed upon doping, by drawing spectral weight from the upper Hubbard band and shifting the lower Hubbard band towards the Fermi level, leading to a metallic state with emergent quasiparticles at the Fermi level. On the other hand, the PI regime at large $λ$ and small $U$ persists out to relatively high doping levels. We study the evolution of the $d$-wave superconducting susceptibility with doping, and find that it increases with lowering temperature in a regime of intermediate values of $U$ and $λ$.

cond-mat.str-el↗

arXiv2017

Dispersive charge density wave excitations and temperature dependent commensuration in Bi2Sr2CaCu2O8+δ

Experimental evidence on high-Tc cuprates reveals ubiquitous charge density wave (CDW) modulations, which coexist with superconductivity. Although the CDW had been predicted by theory, important questions remain about the extent to which the CDW influences lattice and charge degrees of freedom and its characteristics as functions of doping and temperature. These questions are intimately connected to the origin of the CDW and its relation to the mysterious cuprate pseudogap. Here, we use ultrahigh resolution resonant inelastic x-ray scattering (RIXS) to reveal new CDW character in underdoped Bi2Sr2CaCu2O8+δ (Bi2212). At low temperature, we observe dispersive excitations from an incommensurate CDW that induces anomalously enhanced phonon intensity, unseen using other techniques. Near the pseudogap temperature T*, the CDW persists, but the associated excitations significantly weaken and the CDW wavevector shifts, becoming nearly commensurate with a periodicity of four lattice constants. The dispersive CDW excitations, phonon anomaly, and temperature dependent commensuration provide a comprehensive momentum space picture of complex CDW behavior and point to a closer relationship with the pseudogap state.

cond-mat.str-el↗

arXiv2017

Effects of an Additional Conduction Band on Singlet-Antiferromagnet Competition in the Periodic Anderson Model

The competition between antiferromagnetic (AF) order and singlet formation is a central phenomenon of the Kondo and Periodic Anderson Hamiltonians, and of the heavy fermion materials they describe. In this paper, we explore the effects of an additional conduction band on magnetism in these models, and, specifically, on changes in the AF-singlet quantum critical point (QCP) and the one particle and spin spectral functions. To understand the magnetic phase transition qualitatively, we first carry out a self-consistent mean field theory (MFT). The basic conclusion is that, at half-filling, the coupling to the additional band stabilizes the AF phase to larger $f$ $d$ hybridization $V$ in the PAM. We also explore the possibility of competing ferromagnetic phases when this conduction band is doped away from half-filling. We next employ Quantum Monte Carlo (QMC) which, in combination with finite size scaling, allows us to evaluate the position of the QCP using an exact treatment of the interactions. This approach confirms the stabilization of AF order, which occurs through an enhancement of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. QMC results for the spectral function $A(\textbf{q},ω)$ and dynamic spin structure factor $χ(\textbf{q},ω)$ yield additional insight into the AF-singlet competition and the low temperature phases.

cond-mat.str-el↗

arXiv2017

Decrease of d-wave pairing strength in spite of the persistence of magnetic excitations in the overdoped Hubbard model

Evidence for the presence of high energy magnetic excitations in overdoped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) has raised questions regarding the role of spin-fluctuations in the pairing mechanism. If they remain present in overdoped LSCO, why does $T_c$ decrease in this doping regime? Here, using results for the dynamic spin susceptibility ${\rm Im}χ(q,ω)$ obtained from a determinantal quantum Monte Carlo (DQMC) calculation for the Hubbard model we address this question. We find that while high energy magnetic excitations persist in the overdoped regime, they lack the momentum to scatter pairs between the anti-nodal regions. It is the decrease in the spectral weight at large momentum transfer, not observed by resonant inelastic X-ray scattering (RIXS), which leads to a reduction in the $d$-wave spin-fluctuation pairing strength.

cond-mat.supr-con↗

arXiv2017

Realization of Quantum Spin Hall State in Monolayer 1T'-WTe2

A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin-orbit coupling. By investigating electronic structure of epitaxially grown monolayer 1T'-WTe2 using angle-resolved photoemission (ARPES) and first principle calculations, we observe clear signatures of the topological band inversion and the band gap opening, which are the hallmarks of a QSH state. Scanning tunneling microscopy measurements further confirm the correct crystal structure and the existence of a bulk band gap, and provide evidence for a modified electronic structure near the edge that is consistent with the expectations for a QSH insulator. Our results establish monolayer 1T'-WTe2 as a new class of QSH insulator with large band gap in a robust two-dimensional materials family of transition metal dichalcogenides (TMDCs).

cond-mat.mtrl-sci↗