arXiv subjects

O. V. Yazyev

Publications and source records attributed to O. V. Yazyev.

At least 19 recordsLinked to original sources

arXiv2023

Observation of Kekulé vortices induced in graphene by hydrogen adatoms

Fractional charges are one of the wonders of the fractional quantum Hall effect, a liquid of strongly correlated electrons in a large magnetic field. Fractional excitations are also anticipated in two-dimensional crystals of non-interacting electrons under time-reversal symmetry, as bound states of a rotating bond order known as Kekulé vortex. However, the physical mechanisms inducing such topological defects remain elusive, preventing experimental realisations. Here, we report the observation of Kekulé vortices in the local density of states of graphene under time-reversal symmetry. The vortices result from intervalley scattering on chemisorbed hydrogen adatoms and have a purely electronic origin. Their 2π winding is reminiscent of the Berry phase π of the massless Dirac electrons. Remarkably, we observe that point scatterers with different symmetries such as divacancies can also induce a Kekulé bond order without vortex. Therefore, our local-probe study further confirms point defects as versatile building blocks for the control of graphene's electronic structure by kekulé order.

cond-mat.mes-hall↗

arXiv2022

Giant Chern number of a Weyl nodal surface without upper limit

Weyl nodes can be classified into zero-dimensional (0D) Weyl points (WPs), 1D Weyl nodal lines (WNL) and 2D Weyl nodal surfaces (WNS), which possess finite Chern numbers. Up to date, the largest Chern number of WPs identified in Weyl semimetals is 4, which is thought to be a maximal value for linearly crossing points in solids. On the other hand, whether the Chern numbers of nonzero-dimensional linear crossing Weyl nodal objects have one upper limit is still an open question. In this work, combining angle-resolved photoemission spectroscopy with density functional theory calculations, we show that the chiral crystal AlPt hosts a cube-shaped charged Weyl nodal surface which is formed by the linear crossings of two singly-degenerate bands. Different to conventional Weyl nodes, the cube-shaped nodal surface in AlPt is enforced by nonsymmorphic chiral symmetries and time reversal symmetry rather than accidental band crossings, and it possesses a giant Chern number |C| = 26. Moreover, our results and analysis prove that there is no upper limit for the Chern numbers of such kind 2D Weyl nodal object.

cond-mat.mtrl-sci↗

arXiv2021

Observation of a singular Weyl point surrounded by charged nodal walls in PtGa

Constrained by the Nielsen-Ninomiya no-go theorem, in all so-far experimentally determined Weyl semimetals (WSMs) the Weyl points (WPs) always appear in pairs in the momentum space with no exception. As a consequence, Fermi arcs occur on surfaces which connect the projections of the WPs with opposite chiral charges. However, this situation can be circumvented in the case of unpaired WP, without relevant surface Fermi arc connecting its surface projection, appearing singularly, while its Berry curvature field is absorbed by nontrivial charged nodal walls. Here, combining angle-resolved photoemission spectroscopy with density functional theory calculations, we show experimentally that a singular Weyl point emerges in PtGa at the center of the Brillouin zone (BZ), which is surrounded by closed Weyl nodal walls located at the BZ boundaries and there is no Fermi arc connecting its surface projection. Our results reveal that nontrivial band crossings of different dimensionalities can emerge concomitantly in condensed matter, while their coexistence ensures the net topological charge of different dimensional topological objects to be zero. Our observation extends the applicable range of the original Nielsen-Ninomiya no-go theorem which was derived from zero dimensional paired WPs with opposite chirality.

cond-mat.str-el↗

arXiv2020

Nature of native atomic defects in ZrTe$_5$ and their impact on the low-energy electronic structure

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe$_5$ have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe$_5$ samples, especially given the very small density of states near its chemical potential. Here we report on high resolution scanning tunneling microscopy and spectroscopy measurements performed on samples grown via different methods. Using density functional theory calculations, we identify the most prevalent types of atomic defects on the surface of ZrTe$_5$, namely Te vacancies and intercalated Zr atoms. Finally, we precisely quantify their density and outline their role as ionized defects in the anomalous resistivity of this material.

cond-mat.mtrl-sci↗

arXiv2020

Light Induced Electron Spin Resonance Properties of van der Waals CrX3 (X = Cl, I) Crystals

The research on layered van der Waals (vdW) magnets is rapidly progressing owing to exciting fundamental science and potential applications. In bulk crystal form, CrCl3 is a vdW antiferromagnet with in-plane ferromagnetic ordering below 17 K, and CrI3 is a vdW ferromagnet below 61 K. Here, we report on the electron spin resonance (ESR) properties of CrCl3 and CrI3 single crystals upon photo-excitation in the visible range. We noticed remarkable changes in the ESR spectra upon illumination. In the case of CrCl3, at 10 K, the ESR signal is shifted from g = 1.492 (dark) to 1.661 (light), line width increased from 376 to 506 Oe, and the signal intensity is reduced by 1.5 times. Most interestingly, the observed change in the signal intensity is reversible when the light is cycled on/off. We observed almost no change in the ESR spectral parameters in the paramagnetic phase (>20 K) upon illumination. Upon photo-excitation of CrI3, the ESR signal intensity is reduced by 1.9 times; the g-value increased from 1.956 to 1.990; the linewidth increased from 1170 to 1260 Oe at 60 K. These findings are discussed by taking into account the skin depth, the slow relaxation mechanism and the appearance of low-symmetry fields at the photo-generated Cr2+ Jahn-Teller centers. Such an increase in the g-value as a result of photo-generated Cr2+ ions is further supported by our many-body wavefunction calculations. This work has the potential to extend to monolayer vdWs magnets by combining ESR spectroscopy with optical excitation and detection.

cond-mat.mtrl-sci↗

arXiv2020

Exchange Interactions Mediated by Non-Magnetic Cations in Double Perovskites

Establishing the physical mechanism governing exchange interactions is fundamental for exploring exotic phases such as the quantum spin liquids (QSLs) in real materials. In this work, we address exchange interactions in Sr2CuTe$_{1-x}$W$_{x}$O, a series of double perovskites that realize the spin-1/2 square lattice and were suggested to harbor a QSL ground state arising from random distribution of non-magnetic ions. Our {\it ab initio} multi-reference configuration interaction calculations show that replacing Te atoms with W atoms changes the dominant couplings from nearest to next-nearest neighbor explained by the crucial role of unoccupied states of non-magnetic ions in the super-superexchange mechanism. Combined with spin-wave theory simulations, our calculated exchange couplings provide an excellent description of the inelastic neutron scattering spectra of the end compounds, as well as explain the magnetic excitations in Sr2CuTe$_{0.5}$W$_{0.5}$O as emerging from the bond-disordered exchange couplings. Our results provide crucial understanding of the role of non-magnetic cations in exchange interactions paving the way to further exploration of QSL phases in bond-disordered materials.

cond-mat.str-el↗

arXiv2019

Highly anisotropic interlayer magnetoresistance in ZrSiS nodal-line Dirac semimetal

We instigate the angle-dependent magnetoresistance (AMR) of the layered nodal-line Dirac semimetal ZrSiS for the in-plane and out-of-plane current directions. This material has recently revealed an intriguing butterfly-shaped in-plane AMR that is not well understood. Our measurements of the polar out-of-plane AMR show a surprisingly different response with a pronounced cusp-like feature. The maximum of the cusp-like anisotropy is reached when the magnetic field is oriented in the $a$-$b$ plane. Moreover, the AMR for the azimuthal out-of-plane current direction exhibits a very strong four-fold $a$-$b$ plane anisotropy. Combining the Fermi surfaces calculated from first principles with the Boltzmann's semiclassical transport theory we reproduce and explain all the prominent features of the unusual behavior of the in-plane and out-of-plane AMR. We are also able to clarify the origin of the strong non-saturating transverse magnetoresistance as an effect of imperfect charge-carrier compensation and open orbits. Finally, by combining our theoretical model and experimental data we estimate the average relaxation time of $2.6\times10^{-14}$~s and the mean free path of $15$~nm at 1.8~K in our samples of ZrSiS.

cond-mat.mtrl-sci↗

arXiv2019

Observation of Weyl nodes in robust type-II Weyl semimetal WP2

Distinct to type-I Weyl semimetals (WSMs) that host quasiparticles described by the Weyl equation, the energy dispersion of quasiparticles in type-II WSMs violates Lorentz invariance and the Weyl cones in the momentum space are tilted. Since it was proposed that type-II Weyl fermions could emerge from (W,Mo)Te2 and (W,Mo)P2 families of materials, a large numbers of experiments have been dedicated to unveil the possible manifestation of type-II WSM, e.g. the surface-state Fermi arcs. However, the interpretations of the experimental results are very controversial. Here, using angle-resolved photoemission spectroscopy supported by the first-principles calculations, we probe the tilted Weyl cone bands in the bulk electronic structure of WP2 directly, which are at the origin of Fermi arcs at the surfaces and transport properties related to the chiral anomaly in type-II WSMs. Our results ascertain that due to the spin-orbit coupling the Weyl nodes originate from the splitting of 4-fold degenerate band-crossing points with Chern numbers C = $\pm$2 induced by the crystal symmetries of WP2, which is unique among all the discovered WSMs. Our finding also provides a guiding line to observe the chiral anomaly which could manifest in novel transport properties.

cond-mat.mes-hall↗

arXiv2018

Switchable Weyl nodes in topological Kagome ferromagnet Fe3Sn2

The control of topological quantum materials is the prerequisite for novel devices exploiting these materials. Here we propose that the room temperature ferromagnet Fe3Sn2, whose fundamental building blocks are Kagome bilayers of iron, hosts Weyl nodes at the Fermi level which can move in momentum space depending on the direction of the magnetization, itself readily controlled either by modest external fields or temperature. The proposal is derived from density functional calculations, including a mean field treatment of Hubbard repulsion U, which have been validated by comparison with angle-resolved photoemission data. Ferromagnetism with magnetization along certain directions is shown to lift the Weyl degeneracies, while at the same time inducing texture in the quasiparticle spin polarizations mapped in reciprocal space. In particular, the polarization is attenuated and then rotated from parallel to perpendicular to antiparallel to the magnetization as Weyl points derived from crossing of majority and minority spin bands are traversed.

cond-mat.str-el↗

arXiv2018

Trivial topological phase of CaAgP and the topological nodal-line transition in CaAg(P1-xAsx)

By performing angle-resolved photoemission spectroscopy and first-principles calculations, we address the topological phase of CaAgP and investigate the topological phase transition in CaAg(P1-xAsx). We reveal that in CaAgP, the bulk band gap and surface states with a large bandwidth are topologically trivial, in agreement with hybrid density functional theory calculations. The calculations also indicate that application of "negative" hydrostatic pressure can transform trivial semiconducting CaAgP into an ideal topological nodal-line semimetal phase. The topological transition can be realized by partial isovalent P/As substitution at x = 0.38.

cond-mat.mtrl-sci↗

arXiv2017

Enhanced ultrafast relaxation rate in the Weyl semimetal phase of $\mathbf{MoTe_2}$ measured by time-and angle-resolved photoelectron spectroscopy

$\mathrm{MoTe_2}$ has recently been shown to realize in its low-temperature phase the type-II Weyl semimetal (WSM). We investigated by time- and angle- resolved photoelectron spectroscopy (tr-ARPES) the possible influence of the Weyl points in the electron dynamics above the Fermi level $\mathrm{E_F}$, by comparing the ultrafast response of $\mathrm{MoTe_2}$ in the trivial and topological phases. In the low-temperature WSM phase, we report an enhanced relaxation rate of electrons optically excited to the conduction band, which we interpret as a fingerprint of the local gap closure when Weyl points form. By contrast, we find that the electron dynamics of the related compound $\mathrm{WTe_2}$ is slower and temperature-independent, consistent with a topologically trivial nature of this material. Our results shows that tr-ARPES is sensitive to the small modifications of the unoccupied band structure accompanying the structural and topological phase transition of $\mathrm{MoTe_2}$.

cond-mat.mtrl-sci↗

arXiv2017

$J_1$-$J_2$ square lattice antiferromagnetism in the orbitally quenched insulator MoOPO$_4$

We report magnetic and thermodynamic properties of a $4d^1$ (Mo$^{5+}$) magnetic insulator MoOPO$_4$ single crystal, which realizes a $J_1$-$J_2$ Heisenberg spin-$1/2$ model on a stacked square lattice. The specific-heat measurements show a magnetic transition at 16 K which is also confirmed by magnetic susceptibility, ESR, and neutron diffraction measurements. Magnetic entropy deduced from the specific heat corresponds to a two-level degree of freedom per Mo$^{5+}$ ion, and the effective moment from the susceptibility corresponds to the spin-only value. Using {\it ab initio} quantum chemistry calculations we demonstrate that the Mo$^{5+}$ ion hosts a purely spin-$1/2$ magnetic moment, indicating negligible effects of spin-orbit interaction. The quenched orbital moments originate from the large displacement of Mo ions inside the MoO$_6$ octahedra along the apical direction. The ground state is shown by neutron diffraction to support a collinear Néel-type magnetic order, and a spin-flop transition is observed around an applied magnetic field of 3.5 T. The magnetic phase diagram is reproduced by a mean-field calculation assuming a small easy-axis anisotropy in the exchange interactions. Our results suggest $4d$ molybdates as an alternative playground to search for model quantum magnets.

cond-mat.str-el↗

arXiv2017

Pressure effect and Superconductivity in $β$-Bi$_4$I$_4$ Topological Insulator

We report a detailed study of the transport coefficients of $β$-Bi$_4$I$_4$ quasi-one dimensional topological insulator. Electrical resistivity, thermoelectric power, thermal conductivity and Hall coefficient measurements are consistent with the possible appearance of a charge density wave order at low temperatures. Both electrons and holes contribute to the conduction in $β$-Bi$_4$I$_4$ and the dominant type of charge carrier changes with temperature as a consequence of temperature-dependent carrier densities and mobilities. Measurements of resistivity and Seebeck coefficient under hydrostatic pressure up to 2 GPa show a shift of the charge density wave order to higher temperatures suggesting a strongly one-dimensional character at ambient pressure. Surprisingly, superconductivity is induced in $β$-Bi$_4$I$_4$ above 10 GPa with of 4.0 K which is slightly decreasing upon increasing the pressure up to 20 GPa. Chemical characterisation of the pressure-treated samples shows amorphization of $β$-Bi$_4$I$_4$ under pressure and rules out decomposition into Bi and BiI$_3$ at room-temperature conditions.

cond-mat.str-el↗

arXiv2017

Distinct evolutions of Weyl fermion quasiparticles and Fermi arcs with bulk band topology in Weyl semimetals

The Weyl semimetal phase is a recently discovered topological quantum state of matter characterized by the presence of topologically protected degeneracies near the Fermi level. These degeneracies are the source of exotic phenomena, including the realization of chiral Weyl fermions as quasiparticles in the bulk and the formation of Fermi arc states on the surfaces. Here, we demonstrate that these two key signatures show distinct evolutions with the bulk band topology by performing angle-resolved photoemission spectroscopy, supported by first-principle calculations, on transition-metal monophosphides. While Weyl fermion quasiparticles exist only when the chemical potential is located between two saddle points of the Weyl cone features, the Fermi arc states extend in a larger energy scale and are robust across the bulk Lifshitz transitions associated with the recombination of two non-trivial Fermi surfaces enclosing one Weyl point into a single trivial Fermi surface enclosing two Weyl points of opposite chirality. Therefore, in some systems (e.g. NbP), topological Fermi arc states are preserved even if Weyl fermion quasiparticles are absent in the bulk. Our findings not only provide insight into the relationship between the exotic physical phenomena and the intrinsic bulk band topology in Weyl semimetals, but also resolve the apparent puzzle of the different magneto-transport properties observed in TaAs, TaP and NbP, where the Fermi arc states are similar.

cond-mat.mes-hall↗

arXiv2016

Magnetic excitations and electronic interactions in Sr$_2$CuTeO$_6$: a spin-1/2 square lattice Heisenberg antiferromagnet

Sr$_2$CuTeO$_6$ presents an opportunity for exploring low-dimensional magnetism on a square lattice of $S=1/2$ Cu$^{2+}$ ions. We employ ab initio multi-reference configuration interaction calculations to unravel the Cu$^{2+}$ electronic structure and to evaluate exchange interactions in Sr$_2$CuTeO$_6$. The latter results are validated by inelastic neutron scattering using linear spin-wave theory and series-expansion corrections for quantum effects to extract true coupling parameters. Using this methodology, which is quite general, we demonstrate that Sr$_2$CuTeO$_6$ is an almost realization of a nearest-neighbor Heisenberg antiferromagnet but with relatively weak coupling of 7.18(5) meV.

cond-mat.str-el↗

arXiv2016

Optically switched magnetism in photovoltaic perovskite CH$_3$NH$_3$(Mn:Pb)I$_3$

The demand for ever-increasing density of information storage and speed of manipulation boosts an intense search for new magnetic materials and novel ways of controlling the magnetic bit. Here, we report the synthesis of a ferromagnetic photovoltaic CH$_3$NH$_3$(Mn:Pb)I$_3$ material in which the photo-excited electrons rapidly melt the local magnetic order through the Ruderman-Kittel-Kasuya-Yosida interactions without heating up the spin system. Our finding offers an alternative, very simple and efficient way of optical spin control, and opens an avenue for applications in low power, light controlling magnetic devices.

cond-mat.mtrl-sci↗

arXiv2016

BiTeCl and BiTeBr: a comparative high-pressure optical study

We here report a detailed high-pressure infrared transmission study of BiTeCl and BiTeBr. We follow the evolution of two band transitions: the optical excitation $β$ between two Rashba-split conduction bands, and the absorption $γ$ across the band gap. In the low pressure range, $p< 4$~GPa, for both compounds $β$ is approximately constant with pressure and $γ$ decreases, in agreement with band structure calculations. In BiTeCl, a clear pressure-induced phase transition at 6~GPa leads to a different ground state. For BiTeBr, the pressure evolution is more subtle, and we discuss the possibility of closing and reopening of the band gap. Our data is consistent with a Weyl phase in BiTeBr at 5$-$6~GPa, followed by the onset of a structural phase transition at 7~GPa.

cond-mat.mtrl-sci↗

arXiv2016

Possibility of an unconventional spin state of Ir$^{4+}$ in Ba$_{21}$Ir$_9$O$_{43}$ single crystal

We report the synthesis of single crystals of a novel layered iridate Ba$_{21}$Ir$_9$O$_{43}$, and present the crystallographic, transport and magnetic properties of this material. The compound has a hexagonal structure with two iridium oxide layers stacked along the $c$ direction. One layer consists of a triangular arrangement of Ir$_2$O$_9$ dimers while the other layer comprises two regular octahedra and one triangular pyramid, forming inter-penetrated triangular lattices. The resistivity as a function of temperature exhibits an insulating behavior, with a peculiar $T^{-3}$ behavior. Magnetic susceptibility shows antiferromagnetic Curie-Weiss behavior with $Θ_\mathrm{CW} \simeq -$90 K while a magnetic transition occurs at substantially lower temperature of 9 K. We discuss possible valence states and effective magnetic moments on Ir ions in different local environments, and argue that the Ir ions in a unique triangular-pyramidal configuration likely carry unusually large magnetic moments.

cond-mat.str-el↗