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Chi-Cheng Lee

Publications and source records attributed to Chi-Cheng Lee.

At least 37 records · Page 2Linked to original sources
arXiv2017

Atomic-scale visualization of surface-assisted orbital order

Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. Here we report a first, real-space, imaging of a surface- assisted orbital ordered structure on a cobalt-terminated surface of the well-studied heavy fermion compound CeCoIn5. Within small tip-sample distances, the cobalt atoms on a cleaved (001) surface take on dumbbell shapes alternatingly aligned in the [100] and [010] directions in scanning tunneling microscopy topographies. First- principles calculations reveal that this structure is a consequence of the staggered dxz-dyz orbital order triggered by enhanced on-site Coulomb interaction at the surface. This so-far-overlooked surface-assisted orbital ordering may prevail in transition metal oxides, heavy fermion superconductors and other materials.

cond-mat.str-el↗
arXiv2017

Magnetic tunneling induced Weyl node annihilation in TaP

Weyl nodes are topological objects in three-dimensional metals. Their topological property can be revealed by studying the high-field transport properties of a Weyl semimetal. While the energy of the lowest Landau band (LLB) of a conventional Fermi pocket always increases with magnetic field due to the zero point energy, the LLB of Weyl cones remains at zero energy unless a strong magnetic field couples the Weyl fermions of opposite chirality. In the Weyl semimetal TaP, we achieve such a magnetic coupling between the electron-like Fermi pockets arising from the W1 Weyl fermions. As a result, their LLBs move above chemical potential, leading to a sharp sign reversal in the Hall resistivity at a specific magnetic field corresponding to the W1 Weyl node separation. By contrast, despite having almost identical carrier density, the annihilation is unobserved for the hole-like pockets because the W2 Weyl nodes are much further separated. These key findings, corroborated by other systematic analyses, reveal the nontrivial topology of Weyl fermions in high-field measurements.

cond-mat.str-el↗
arXiv2017

Single-particle excitation of core states in epitaxial silicene

Recent studies of core-level X-ray photoelectron spectroscopy (XPS) spectra of silicene on ZrB$_2$(0001) were found to be inconsistent with the density of states (DOS) of a planar-like structure that has been proposed as the ground state by density functional theory (DFT). To resolve the discrepancy, a reexamination of the XPS spectra and direct theoretical access of accurate single-particle excitation energies are desired. By analyzing the XPS data using symmetric Voigt functions, different binding energies and its sequence of Si $2p$ orbitals can be assigned from previously reported ones where asymmetric pseudo-Voigt functions are adopted. Theoretically, we have adopted an approach developed very recently, which follows the sophisticated $Δ$ self-consistent field ($Δ$SCF) methods, to study the single-particle excitation of core states. In the calculations, each single-particle energy and the renormalized core-hole charge density are calculated straightforwardly via two SCF calculations. By comparing the results, the theoretical core-level absolute binding energies including the splitting due to spin-orbit coupling are in good agreement with the observed high-resolution XPS spectra. The good agreement not only resolves the puzzling discrepancy between experiment and theory (DOS) but also advocates the success of DFT in describing many-body interactions of electrons at the surface.

cond-mat.mtrl-sci↗
arXiv2017

A strongly robust Weyl fermion semimetal state in Ta$_{3}$S$_{2}$

Weyl semimetals are extremely interesting. Although the first Weyl semimetal was recently discovered in TaAs, research progress is still significantly hindered due to the lack of robust and ideal materials candidates. In order to observe the many predicted exotic phenomena that arise from Weyl fermions, it is of critical importance to find robust and ideal Weyl semimetals, which have fewer Weyl nodes and more importantly whose Weyl nodes are well separated in momentum space and are located close to the chemical potential in energy. In this paper, we propose by far the most robust and ideal Weyl semimetal candidate in the inversion breaking, single crystalline compound tantalum sulfide Ta$_3$S$_2$ with new and novel properties beyond TaAs. We find that Ta$_3$S$_2$ has only 8 Weyl nodes, all of which have the same energy that is merely 10 meV below the chemical potential. Crucially, our results show that Ta$_3$S$_2$ has the largest $k$-space separation between Weyl nodes among known Weyl semimetal candidates, which is about twice larger than TaAs and twenty times larger than the predicted value in WTe$_2$. Moreover, we predict that increasing the lattice by $<4\%$ can annihilate all Weyl nodes, driving a novel topological metal-to-insulator transition from a Weyl semimetal state to a topological insulator state. We further discover that changing the lattice constant can move the Weyl nodes and the van Hove singularities with enhanced density of states to the chemical potential. Our prediction provides a critically needed robust candidate for this rapidly developing field. The well separated Weyl nodes, the topological metal-to-insulator transition and the remarkable tunabilities suggest Ta$_3$S$_2$'s potential as the ideal platform in future device-applications based on Weyl semimetals.

cond-mat.mtrl-sci↗
arXiv2016

Discovery of a new type of topological Weyl fermion semimetal state in Mo$_x$W$_{1-x}$Te$_2$

The recent discovery of a Weyl semimetal in TaAs offers the first Weyl fermion observed in nature and dramatically broadens the classification of topological phases. However, in TaAs it has proven challenging to study the rich transport phenomena arising from emergent Weyl fermions. The series Mo$_x$W$_{1-x}$Te$_2$ are inversion-breaking, layered, tunable semimetals already under study as a promising platform for new electronics and recently proposed to host Type II, or strongly Lorentz-violating, Weyl fermions. Here we report the discovery of a Weyl semimetal in Mo$_x$W$_{1-x}$Te$_2$ at $x = 25\%$. We use pump-probe angle-resolved photoemission spectroscopy (pump-probe ARPES) to directly observe a topological Fermi arc above the Fermi level, demonstrating a Weyl semimetal. The excellent agreement with calculation suggests that Mo$_x$W$_{1-x}$Te$_2$ is the first Type II Weyl semimetal. We also find that certain Weyl points are at the Fermi level, making Mo$_x$W$_{1-x}$Te$_2$ a promising platform for transport and optics experiments on Weyl semimetals.

cond-mat.mtrl-sci↗
arXiv2016

Core level binding energies in solids from first-principles

A general method is presented to calculate absolute binding energies of core levels in metals and insulators, based on a penalty functional and an exact Coulomb cutoff method in a framework of the density functional theory. The spurious interaction of core holes between supercells is avoided by the exact Coulomb cutoff method, while the variational penalty functional enables us to treat multiplet splittings due to chemical shift, spin-orbit coupling, and exchange interaction on equal footing, both of which are not accessible by previous methods. It is demonstrated that the absolute binding energies of core levels for both metals and insulators are calculated by the proposed method in a mean absolute (percentage) error of 0.4 eV (0.16~\%) for eight cases compared to experimental values measured with X-ray photoemission spectroscopy within a generalized gradient approximation to the exchange-correlation functional.

cond-mat.mtrl-sci↗
arXiv2016

Measuring Chern numbers above the Fermi level in the Type II Weyl semimetal Mo$_x$W$_{1-x}$Te$_2$

It has recently been proposed that electronic band structures in crystals give rise to a previously overlooked type of Weyl fermion, which violates Lorentz invariance and, consequently, is forbidden in particle physics. It was further predicted that Mo$_x$W$_{1-x}$Te$_2$ may realize such a Type II Weyl fermion. One crucial challenge is that the Weyl points in Mo$_x$W$_{1-x}$Te$_2$ are predicted to lie above the Fermi level. Here, by studying a simple model for a Type II Weyl cone, we clarify the importance of accessing the unoccupied band structure to demonstrate that Mo$_x$W$_{1-x}$Te$_2$ is a Weyl semimetal. Then, we use pump-probe angle-resolved photoemission spectroscopy (pump-probe ARPES) to directly observe the unoccupied band structure of Mo$_x$W$_{1-x}$Te$_2$. For the first time, we directly access states $> 0.2$ eV above the Fermi level. By comparing our results with $\textit{ab initio}$ calculations, we conclude that we directly observe the surface state containing the topological Fermi arc. Our work opens the way to studying the unoccupied band structure as well as the time-domain relaxation dynamics of Mo$_x$W$_{1-x}$Te$_2$ and related transition metal dichalcogenides.

cond-mat.mes-hall↗
arXiv2016

Signatures of the Adler-Bell-Jackiw chiral anomaly in a Weyl Fermion semimetal

Weyl semimetals provide the realization of Weyl fermions in solid-state physics. Among all the physical phenomena that are enabled by Weyl semimetals, the chiral anomaly is the most unusual one. Here, we report signatures of the chiral anomaly in the magneto-transport measurements on the first Weyl semimetal TaAs. We show negative magnetoresistance under parallel electric and magnetic fields, that is, unlike most metals whose resistivity increases under an external magnetic field, we observe that our high mobility TaAs samples become more conductive as a magnetic field is applied along the direction of the current for certain ranges of the field strength. We present systematically detailed data and careful analyses, which allow us to exclude other possible origins of the observed negative magnetoresistance. Our transport data, corroborated by photoemission measurements, first-principles calculations and theoretical analyses, collectively demonstrate signatures of the Weyl fermion chiral anomaly in the magneto-transport of TaAs.

cond-mat.mtrl-sci↗
arXiv2016

Criteria for directly detecting topological Fermi arcs in Weyl semimetals

The recent discovery of the first Weyl semimetal in TaAs provides the first observation of a Weyl fermion in nature and demonstrates a novel type of anomalous surface state, the Fermi arc. Like topological insulators, the bulk topological invariants of a Weyl semimetal are uniquely fixed by the surface states of a bulk sample. Here, we present a set of distinct conditions, accessible by angle-resolved photoemission spectroscopy (ARPES), each of which demonstrates topological Fermi arcs in a surface state band structure, with minimal reliance on calculation. We apply these results to TaAs and NbP. For the first time, we rigorously demonstrate a non-zero Chern number in TaAs by counting chiral edge modes on a closed loop. We further show that it is unreasonable to directly observe Fermi arcs in NbP by ARPES within available experimental resolution and spectral linewidth. Our results are general and apply to any new material to demonstrate a Weyl semimetal.

cond-mat.mes-hall↗
arXiv2015

Unoccupied electronic structure and signatures of topological Fermi arcs in the Weyl semimetal candidate Mo$_x$W$_{1-x}$Te$_2$

Weyl semimetals have sparked intense research interest, but experimental work has been limited to the TaAs family of compounds. Recently, a number of theoretical works have predicted that compounds in the Mo$_x$W$_{1-x}$Te$_2$ series are Weyl semimetals. Such proposals are particularly exciting because Mo$_x$W$_{1-x}$Te$_2$ has a quasi two-dimensional crystal structure well-suited to many transport experiments, while WTe$_2$ and MoTe$_2$ have already been the subject of numerous proposals for device applications. However, with available ARPES techniques it is challenging to demonstrate a Weyl semimetal in Mo$_x$W$_{1-x}$Te$_2$. According to the predictions, the Weyl points are above the Fermi level, the system approaches two critical points as a function of doping, there are many irrelevant bulk bands, the Fermi arcs are nearly degenerate with bulk bands and the bulk band gap is small. Here, we study Mo$_x$W$_{1-x}$Te$_2$ for $x = 0.07$ and 0.45 using pump-probe ARPES. The system exhibits a dramatic response to the pump laser and we successfully access states $> 0.2$eV above the Fermi level. For the first time, we observe direct, experimental signatures of Fermi arcs in Mo$_x$W$_{1-x}$Te$_2$, which agree well with theoretical calculations of the surface states. However, we caution that the interpretation of these features depends sensitively on free parameters in the surface state calculation. We comment on the prospect of conclusively demonstrating a Weyl semimetal in Mo$_x$W$_{1-x}$Te$_2$.

cond-mat.mtrl-sci↗
arXiv2015

Experimental discovery of a topological Weyl semimetal state in TaP

Weyl semimetals are expected to open up new horizons in physics and materials science because they provide the first realization of Weyl fermions and exhibit protected Fermi arc surface states. However, they had been found to be extremely rare in nature. Recently, a family of compounds, consisting of TaAs, TaP, NbAs and NbP was predicted as Weyl semimetal candidates. Here, we experimentally realize a Weyl semimetal state in TaP. Using photoemission spectroscopy, we directly observe the Weyl fermion cones and nodes in the bulk and the Fermi arcs on the surface. Moreover, we find that the surface states show an unexpectedly rich structure, including both topological Fermi arcs and several topologically-trivial closed contours in the vicinity of the Weyl points, which provides a promising platform to study the interplay between topological and trivial surface states on a Weyl semimetal's surface. We directly demonstrate the bulk-boundary correspondence and hence establish the topologically nontrivial nature of the Weyl semimetal state in TaP, by resolving the net number of chiral edge modes on a closed path that encloses the Weyl node. This also provides, for the first time, an experimentally practical approach to demonstrating a bulk Weyl fermion from a surface state dispersion measured in photoemission.

cond-mat.mes-hall↗
arXiv2015

Quasi-particle interferences of the Weyl semimetals TaAs and NbP

The recent discovery of the first Weyl semimetal in TaAs provides the first observation of a Weyl fermion in nature. Such a topological semimetal features a novel type of anomalous surface state, the Fermi arc, which connects a pair of Weyl nodes through the boundary of the crystal. Here, we present theoretical calculations of the quasi-particle interference (QPI) patterns that arise from the surface states including the topological Fermi arcs in the Weyl semimetals TaAs and NbP. Most importantly, we discover that the QPI exhibits termination-points that are fingerprints of the Weyl nodes in the interference pattern. Our results, for the first time, propose an interference signature of the topological Fermi arcs in TaAs, which provides important guidelines for STM measurements on this prototypical Weyl semimetal compound. The scattering channels presented here is relevant to transport phenomena on the surface of the TaAs class of Weyl semimetals. Our work is also the first systematic calculation of the quantum interferences from the Fermi arc surface states, which is in general useful for future STM studies on other Weyl semimetals.

cond-mat.mes-hall↗
arXiv2015

Atomic Scale Visualization of Quantum Interference on a Weyl Semimetal Surface by Scanning Tunneling Microscopy/Spectroscopy

Weyl semimetals may open a new era in condensed matter physics, materials science and nanotech after graphene and topological insulators. We report the first atomic scale view of the surface states of a Weyl semimetal (NbP) using scanning tunneling microscopy/spectroscopy. We observe coherent quantum interference patterns that arise from the scattering of quasiparticles near point defects on the surface. The measurements reveal the surface electronic structure both below and above the chemical potential in both real and reciprocal spaces. Moreover, the interference maps uncover the scattering processes of NbP's exotic surface states. Through comparison between experimental data and theoretical calculations, we further discover that the scattering channels are largely restricted by the orbital and/or spin texture of the surface band. The visualization of the scattering processes can help design novel transport effects and electronics on the topological surface of a Weyl semimetal.

cond-mat.mtrl-sci↗
arXiv2015

Spin polarization and texture of the Fermi arcs in the Weyl Fermion semimetal TaAs

A Weyl semimetal is a new state of matter that host Weyl fermions as quasiparticle excitations. The Weyl fermions at zero energy correspond to points of bulk band degeneracy, Weyl nodes, which are separated in momentum space and are connected only through the crystal's boundary by an exotic Fermi arc surface state. We experimentally measure the spin polarization of the Fermi arcs in the first experimentally discovered Weyl semimetal TaAs. Our spin data, for the first time, reveal that the Fermi arcs' spin polarization magnitude is as large as 80% and possesses a spin texture that is completely in-plane. Moreover, we demonstrate that the chirality of the Weyl nodes in TaAs cannot be inferred by the spin texture of the Fermi arcs. The observed non-degenerate property of the Fermi arcs is important for the establishment of its exact topological nature, which reveal that spins on the arc form a novel type of 2D matter. Additionally, the nearly full spin polarization we observed (~80%) may be useful in spintronic applications.

cond-mat.mtrl-sci↗
arXiv2015

Observation of surface states derived from topological Fermi arcs in the Weyl semimetal NbP

The recent experimental discovery of a Weyl semimetal in TaAs provides the first observation of a Weyl fermion in nature and demonstrates a novel type of anomalous surface state band structure, consisting of Fermi arcs. So far, work has focused on Weyl semimetals with strong spin-orbit coupling (SOC). However, Weyl semimetals with weak SOC may allow tunable spin-splitting for device applications and may exhibit a crossover to a spinless topological phase, such as a Dirac line semimetal in the case of spinless TaAs. NbP, isostructural to TaAs, may realize the first Weyl semimetal in the limit of weak SOC. Here we study the surface states of NbP by angle-resolved photoemission spectroscopy (ARPES) and we find that we $\textit{cannot}$ show Fermi arcs based on our experimental data alone. We present an $\textit{ab initio}$ calculation of the surface states of NbP and we find that the Weyl points are too close and the Fermi level is too low to show Fermi arcs either by (1) directly measuring an arc or (2) counting chiralities of edge modes on a closed path. Nonetheless, the excellent agreement between our experimental data and numerical calculations suggests that NbP is a Weyl semimetal, consistent with TaAs, and that we observe trivial surface states which evolve continuously from the topological Fermi arcs above the Fermi level. Based on these results, we propose a slightly different criterion for a Fermi arc which, unlike (1) and (2) above, does not require us to resolve Weyl points or the spin splitting of surface states. We propose that raising the Fermi level by $> 20$ meV would make it possible to observe a Fermi arc using this criterion in NbP. Our work offers insight into Weyl semimetals with weak spin-orbit coupling, as well as the crossover from the spinful topological Weyl semimetal to the spinless topological Dirac line semimetal.

cond-mat.mes-hall↗
arXiv2015

Arc-tunable Weyl Fermion metallic state in Mo$_x$W$_{1-x}$Te$_2$

Weyl semimetals may open a new era in condensed matter physics because they provide the first example of Weyl fermions, realize a new topological classification even though the system is gapless, exhibit Fermi arc surface states and demonstrate the chiral anomaly and other exotic quantum phenomena. So far, the only known Weyl semimetals are the TaAs class of materials. Here, we propose the existence of a tunable Weyl metallic state in Mo$_x$W$_{1-x}$Te$_2$ via our first-principles calculations. We demonstrate that a 2% Mo doping is sufficient to stabilize the Weyl metal state not only at low temperatures but also at room temperatures. We show that, within a moderate doping regime, the momentum space distance between the Weyl nodes and hence the length of the Fermi arcs can be continuously tuned from zero to ~ 3% of the Brillouin zone size via changing Mo concentration, thus increasing the topological strength of the system. Our results provide an experimentally feasible route to realizing Weyl physics in the layered compound Mo$_x$W$_{1-x}$Te$_2$, where non-saturating magneto-resistance and pressure driven superconductivity have been observed.

cond-mat.mtrl-sci↗
arXiv2015

Fermi arc topology and interconnectivity in Weyl fermion semimetals TaAs, TaP, NbAs, and NbP

The family of binary compounds including TaAs, TaP, NbAs, and NbP was recently discovered as the first realization of Weyl semimetals. In order to develop a comprehensive description of the charge carriers in these Weyl semimetals, we performed systematic electronic structure calculations which reveal the nature of Fermi surfaces and their complex interconnectivity in TaAs, TaP, NbAs, and NbP. Our work report the first comparative and comprehensive study of Fermi surface topology and band structure details of all known members of the Weyl semimetal family and provide the necessary building blocks for advancing our understanding of their unique topologically protected low-energy Weyl fermion physics.

cond-mat.mes-hall↗