arXiv subjects

Leslie M. Schoop

Publications and source records attributed to Leslie M. Schoop.

87 records · Page 5Linked to original sources

arXiv2017

Tunable Weyl and Dirac states in the nonsymmorphic compound $\rm\mathbf{CeSbTe}$

Recent interest in topological semimetals has lead to the proposal of many new topological phases that can be realized in real materials. Next to Dirac and Weyl systems, these include more exotic phases based on manifold band degeneracies in the bulk electronic structure. The exotic states in topological semimetals are usually protected by some sort of crystal symmetry and the introduction of magnetic order can influence these states by breaking time reversal symmetry. Here we show that we can realize a rich variety of different topological semimetal states in a single material, $\rm CeSbTe$. This compound can exhibit different types of magnetic order that can be accessed easily by applying a small field. It allows, therefore, for tuning the electronic structure and can drive it through a manifold of topologically distinct phases, such as the first nonsymmorphic magnetic topological material with an eight-fold band crossing at a high symmetry point. Our experimental results are backed by a full magnetic group theory analysis and ab initio calculations. This discovery introduces a realistic and promising platform for studying the interplay of magnetism and topology.

cond-mat.mtrl-sci↗

arXiv2016

Non-symmorphic band degeneracy at the Fermi level in ZrSiTe

Non-symmorphic materials have recently been predicted to exhibit many different exotic features in their electronic structures. These originate from forced band degeneracies caused by the non-symmorphic symmetry, which not only creates the possibility to realize Dirac semimetals, but also recently resulted in the prediction of novel quasiparticles beyond the usual Dirac, Weyl or Majorana fermions, which can only exist in the solid state. Experimental realization of non-symmorphic materials that have the Fermi level located at the degenerate point is difficult, however, due to the requirement of an odd band filling. In order to investigate the effect of forced band degeneracies on the transport behavior, a material that has such a degeneracy at or close to the Fermi level is desired. Here, we show with angular resolved photoemission experiments supported by density functional calculations, that ZrSiTe hosts several fourfold degenerate Dirac crossings at the X point, resulting from non-symmorphic symmetry. These crossings form a Dirac line node along XR, which is located almost directly at the Fermi level and shows almost no dispersion in energy. ZrSiTe is thus the first real material that allows for transport measurements investigating Dirac fermions that originate from non-symmorphic symmetry.

cond-mat.mtrl-sci↗

arXiv2016

Pressure effect on superconductivity in FeSe0.5Te0.5

Due to the simple layered structure, isostructural FeSe and FeSe0.5Te0.5 are clue compounds for understanding the principal mechanisms of superconductivity in the family of Fe-based superconductors. High-pressure magnetic, structural and Mössbauer studies have been performed on single-crystalline samples of superconducting FeSe0.5Te0.5 with Tc = 13.5 K. Susceptibility data have revealed a strong increase of Tc up to 19.5 K for pressures up to 1.3 GPa, followed by a plateau in the Tc(p) dependence up to 5.0 GPa. Further pressure increase leads to a disappearance of the superconducting state around 7.0 GPa. X-ray diffraction and Mössbauer studies explain this fact by a tetragonal-to-hexagonal structural phase transition. Mössbauer parameters of the non-superconducting high-pressure phase indicate less covalency of Fe-Se bonds. Based on structural and susceptibility data we conclude about a common character of Tc(p) diagrams for both FeSe and FeSe0.5Te0.5 superconductors.

cond-mat.supr-con↗

arXiv2016

Butterfly Magnetoresistance, Quasi-2D Dirac Fermi Surfaces, and a Topological Phase Transition in ZrSiS

Magnetoresistance (MR), the change of a material's electrical resistance in response to an applied magnetic field, is a technologically important property that has been the topic of intense study for more than a quarter century. Here we report the observation of an unusual "butterfly" shaped titanic angular magnetoresistance (AMR) in the non-magnetic, Dirac material, ZrSiS. The MR is large and positive, reaching nearly 1.8 x 10^5 percent at 9 T and 2 K at an angle of 45o between the applied current (along the a-axis) and the applied field (90o is H parallel to the c-axis). Approaching 90o, a "dip" is seen in the AMR which can be traced to an angle dependent deviation from the H^2 law. By analyzing the SdH oscillations at different angles, we find that ZrSiS has a combination of 2D and 3D Dirac pockets comprising its Fermi surface and that the anomalous transport behavior coincides with a topological phase transition whose robust signature is evident despite transport contributions from other parts of the Fermi surface. We also find that as a function of angle, the temperature dependent resistivity in high field displays a broad peak-like behavior, unlike any known Dirac/Weyl material. The combination of very high mobility carriers and multiple Fermi surfaces in ZrSiS allow for large bulk property changes to occur as a function of angle between applied fields makes it a promising platform to study the physics stemming from the coexistence of 2D and 3D Dirac electrons.

cond-mat.mtrl-sci↗

arXiv2016

Magnetic properties of restacked 2D spin $\frac{1}{2}$ honeycomb RuCl$_3$ nanosheets

Spin $\frac{1}{2}$ honeycomb materials have gained substantial interest due to their exotic magnetism and possible application in quantum computing. However, in all current materials out-of-plane interactions are interfering with the in-plane order, hence a true 2D magnetic honeycomb system is still of demand. Here, we report the exfoliation of the magnetic semiconductor $α$-RuCl$_3$ into the first halide monolayers and the magnetic characterization of the spin $\frac{1}{2}$ honeycomb arrangement of turbostratically stacked RuCl$_3$ monolayers. The exfoliation is based on a reductive lithiation/hydration approach, which gives rise to a loss of cooperative magnetism due to the disruption of the spin $\frac{1}{2}$ state by electron injection into the layers. After an oxidative treatment, cooperative magnetism similar to the bulk is restored. The oxidized pellets of restacked single layers feature a magnetic transition at T$_N$ = 7 K in the in-plane direction, while the magnetic properties in the out-of-plane direction vastly differ from bulk $α$-RuCl$_3$. The macroscopic pellets of RuCl$_3$ therefore behave like a stack of monolayers without any symmetry relation in the stacking direction. The deliberate introduction of turbostratic disorder to manipulate the spin structure of RuCl$_3$ is of interest for research in frustrated magnetism and complex magnetic order as predicted by the Kitaev-Heisenberg model.

cond-mat.mtrl-sci↗

arXiv2015

Dirac Cone Protected by Non-Symmorphic Symmetry and 3D Dirac Line Node in ZrSiS

Materials harboring exotic quasiparticles, such as Dirac and Weyl fermions\cite{xu2015discovery,borisenko2015time,weng2015weyl,xu2015observation}, have garnered much attention from the physics and material science communities. These fermions are massless and, in some materials, have shown exceptional physical properties such as ultrahigh mobility and extremely large magnetoresistances \cite{liang2015ultrahigh,ali2014large,du2015unsaturated,shekhar2015large}. Recently, new materials have been predicted to exist which exhibit line nodes of Dirac cones \cite{PhysRevLett.115.036806,xie2015new,burkov2011topological,rhim2015landau}. Here, we show with angle resolved photoemission studies supported by \textit{ab initio} calculations that the highly stable, non-toxic and earth-abundant material, ZrSiS, has an electronic band structure that hosts several Dirac cones which form a Fermi surface with a diamond-shaped line of Dirac nodes. We also experimentally show, for the first time, that the square Si lattice in ZrSiS is an excellent template for realizing the new types of 2D Dirac cones recently predicted by Young and Kane \cite{young2015dirac} and image an unforseen surface state that arises close to the 2D Dirac cone. Finally, we find that the energy range of the linearly dispersed bands is as high as 2\,eV above and below the Fermi level; much larger than of any known Dirac material so far. This makes ZrSiS a very promising candidate to study the exotic behavior of Dirac electrons, or Weyl fermions if a magnetic field is applied, as well as the properties of lines of Dirac nodes

cond-mat.mtrl-sci↗

arXiv2015

Potential ring of Dirac nodes in a new polymorph of Ca$_3$P$_2$

We report the crystal structure of a new polymorph of Ca$_3$P$_2$, and an analysis of its electronic structure. The crystal structure was determined through Rietveld refinements of powder synchrotron x-ray diffraction data. Ca$_3$P$_2$ is found to be a variant of the Mn$_5$Si$_3$ structure type, with a Ca ion deficiency compared to the ideal 5:3 stoichiometry to yield a charge-balanced compound. We also report the observation of a secondary phase, Ca$_5$P$_3$H, in which the Ca and P sites are fully occupied and the presence of interstitial hydride ions creates a closed-shell electron-precise compound. We show via electronic structure calculations of Ca$_3$P$_2$ that the compound is stabilized by a gap in the density of states compared to the hypothetical compound Ca$_5$P$_3$. Moreover, the calculated band structure of Ca$_3$P$_2$ indicates that it should be a three-dimensional Dirac semimetal with a highly unusual ring of Dirac nodes at the Fermi level. The Dirac states are protected against gap opening by a mirror plane in a manner analogous to graphene. The results suggest that further study of the electronic properties of Ca$_3$P$_2$ will be of interest.

cond-mat.mtrl-sci↗

arXiv2015

Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm) as New Dirac Semimetals

We report a new family of ternary 111 hexagonal LnAuSb (Ln = La-Nd, Sm) compounds that, with a 19 valence electron count, has one extra electron compared to all other known LnAuZ compound. The "19th" electron is accommodated by Au-Au bonding between the layers; this Au-Au interaction drives the phases to crystallize in the YPtAs-type structure rather than the more common LiGaGe-type. This is critical, as the YPtAs structure type has the symmetry-allowed band crossing necessary for the formation of Dirac semimetals. Band structure, density of stats, and crystal orbital calculations confirm this picture, which results in a nearly complete band gap between full and empty electronic states and stable compounds; we can thus present a structural stability phase diagram for the LnAuZ (Ln = Ge, As, Sn, Sb, Pb, Bi) family of phases. Those calculations also show that LaAuSb has a bulk Dirac cone below the Fermi level. The YPtAs-type LnAuSb family reported here is an example of the uniqueness of gold chemistry applied to a rigidly closed shell system in an unconventional way.

cond-mat.str-el↗

arXiv2015

Characterization of the Heavy Metal Pyrochlore Lattice Superconductor CaIr2

We report the electronic properties of the cubic laves phase superconductor CaIr2 (Tc = 5.8 K), in which the Ir atoms have a Pyrochlore lattice. The estimated superconducting parameters obtained from magnetization and specific heat measurements indicate that CaIr2 is a weakly coupled BCS superconductor. Electronic band structure calculations show that the Ir d-states are dominant at the Fermi level, creating a complex Fermi surface that is impacted substantially by spin orbit coupling.

cond-mat.supr-con↗

arXiv2014

Z$_2$ topology and superconductivity from symmetry lowering of a 3D Dirac Metal Au$_2$Pb

3D Dirac semi-metals (DSMs) are materials that have massless Dirac electrons and exhibit exotic physical properties It has been suggested that structurally distorting a DSM can create a Topological Insulator (TI), but this has not yet been experimentally verified. Furthermore, quasiparticle excitations known as Majorana Fermions have been theoretically proposed to exist in materials that exhibit superconductivity and topological surface states. Here we show that the cubic Laves phase Au$_2$Pb has a bulk Dirac cone above 100 K that gaps out upon cooling at a structural phase transition to create a topologically non trivial phase that superconducts below 1.2 K. The nontrivial Z$_2$ = -1 invariant in the low temperature phase indicates that Au$_2$Pb in its superconducting state must have topological surface states. These characteristics make Au$_2$Pb a unique platform for studying the transition between bulk Dirac electrons and topological surface states as well as studying the interaction of superconductivity with topological surface states.

cond-mat.supr-con↗

arXiv2014

3D Dirac semimetals: current materials, design principles and predictions of new materials

Design principles and novel predictions of new 3D Dirac semimetals are presented, along with the context of currently known materials. Current materials include those based on a topological to trivial phase transition, such as in TlBiSe$_{2-x}$S$_x$ and Hg$_{1-x}$Cd$_x$Te, Bi$_{1-x}$Sb$_x$, Bi$_{2-x}$In$_x$Se$_3$, and Pb$_{1-x}$Sn$_x$Se. Some more recently revealed materials, Na$_3$Bi and Cd$_3$As$_2$, are 3D Dirac semimetals in their native composition. The different design principles presented each yield novel predictions for new candidates. For Case I, 3D Dirac semimetals based on charge balanced compounds, BaAgBi, SrAgBi, YbAuSb, PtBi$_2$ and SrSn$_2$As$_2$ are identified as candidates. For Case II, 3D Dirac semi-metals in analogy to graphene, BaGa$_2$ is identified as a candidate, and BaPt and Li$_2$Pt are discussed. For Case III, 3D Dirac semi-metals based on glide planes and screw axes, TlMo$_3$Te$_3$ and the AMo$_3$X$_3$ family in general (A=K, Na, In, Tl, X=Se,Te) as well as the Group IVb trihalides such as HfI$_3$ are identified as candidates. Finally we discuss conventional intermetallic compounds with Dirac cones, and identify Cr$_2$B as a potentially interesting material.

cond-mat.mtrl-sci↗

arXiv2014

On the superconductivity of TiNCl and ZrNCl: A local bonding perspective

We analyze the superconductors TiNCl and ZrNCl from a local bonding perspective. Although TiNCl crystallizes in an orthorhombic structure and ZrNCl crystallizes in a hexagonal structure, both compounds show significant structural similarities, for example that both consist of layered metal-Nitrogen networks. The local bonding in those two structures is very similar, giving rise to a dispersive conduction band mostly consisting of metal-d -states. Upon doping both compounds show structural changes, which lead to short metal-metal distances, indicating a bonding interaction that might be important for the appearance of superconductivity in these systems. We furthermore draw analogies to other superconductors that are close to a charge density wave instability around a d 1 -configuration and offer a different perspective on this class of superconductors, which show non-BCS-like superconductivity.

cond-mat.supr-con↗

arXiv2014

Paramagnetic to ferromagnetic phase transition in lightly Fe-doped Cr$_2$B

Cr$_2$B displays temperature independent paramagnetism. We induce ferromagnetism by replacing less than $3\,\%$ of the Cr atoms by Fe. By the lowest Fe doping level made, Curie-Weiss behavior is observed; $Θ_{CW}$ changes from $-20\,$K for $0.5\,\%$ Fe-doped Cr$_2$B to positive values of about 50 K by $5\,\%$ Fe doping. The ferromagnetic T$_C$ is 8 K for $2.5\,\%$ Fe doping and increases linearly to 46 K by $5\,\%$ doping; we infer that a quantum phase transition occurs near the $2.0\,\%$ Fe level. Magnetic fluctuations at the intermediate doping levels are reflected in the linear resistance and an anomalous heat capacity at low temperatures. Imaging and chemical analysis down to the atomic scale show that the Fe dopant is randomly distributed.

cond-mat.str-el↗

arXiv2013

Lone Pair Effect, Structural Distortions and Potential for Superconductivity in Tl Perovskites

Drawing the analogy to BaBiO3, we investigate via ab-initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb, Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. Based on chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, similar to the case of BaBiO3, effectively becoming A2Tl1+Tl3+X6. We find that upon hole doping of RbTlCl3, structures without Tl1+, Tl3+ charge disproportionation become more stable, although the ideal cubic perovskite, often viewed as the best host for superconductivity, should not be the most stable phase in the system. The known superconductor (Sr,K)BiO3 and hole doped RbTlCl3, predicted to be most stable in the same tetragonal structure, display highly analogous calculated electronic band structures.

cond-mat.supr-con↗

arXiv2011

Interplay between Superconductivity and Magnetism in Rb0.8Fe1.6Se2 under Pressure

High-pressure magnetization, structural and 57Fe Mössbauer studies were performed on superconducting Rb0.8Fe1.6Se2.0 with Tc = 32.4 K. The superconducting transition temperature gradually decreases on increasing pressure up to 5.0 GPa followed by a marked step-like suppression of superconductivity near 6 GPa. No structural phase transition in the Fe vacancy-ordered superstructure is observed in synchrotron XRD studies up to 15.6 GPa, while the Mössbauer spectra above 5 GPa reveal the appearance of a new paramagnetic phase and significant changes in the magnetic and electronic properties of the dominant antiferromagnetic phase, coinciding with the disappearance of superconductivity. These findings underline the strong correlation between antiferromagnetic order and superconductivity in phase-separated AxFe2-x/2Se2 (A = K, Rb, Cs) superconductors.

cond-mat.supr-con↗