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O. Janson

Publications and source records attributed to O. Janson.

At least 19 recordsLinked to original sources

Quintuplet condensation in the skyrmionic insulator Cu2OSeO3 at ultrahigh magnetic fields

We report ultrahigh magnetic field Faraday rotation results on the chiral helimagnet Cu2OSeO3, the first Mott insulator showing skyrmion lattice phases and a linear magnetoelectric effect. Between 180 and 300 T, we find signatures of a Bose-Einstein condensation (BEC) of magnons, which can be described as a canted XY ferrimagnet. Due to the magnetoelectric coupling, the transverse magnetic order of the indivual Cu2+ spins is accompanied by a characteristic dome-like electric polarization which is crucial for the observation of the condensate via the Faraday rotation effect.

cond-mat.str-el

The Magnetic Ground State of Atacamite Cu$_2$Cl(OH)$_3$: The Crucial Role of Frustrated Zigzag Chains Revealed by Inelastic Neutron Scattering

We report inelastic neutron scattering (INS) measurements on the magnetically frustrated $S=\frac12$ sawtooth-chain compound atacamite Cu$_2$Cl(OH)$_3$ featuring inequivalent Cu(1) and Cu(2) sites. Transverse to the sawtooth chains, INS reveals two dispersive spin-wave modes and a gap of at least 0.75 meV. This behavior is rationalized within a zigzag-chain model of Cu(2) spins in an effective magnetic field of Cu(1) spins. The model is compatible with first-principles calculations and accounts for INS dispersions within linear spin-wave theory calculations. Our results reveal a unique case of an effective separation of energy scales between two differently oriented one-dimensional chains, with the zigzag-chain model being essential to fully characterize atacamite's low-energy magnetism.

cond-mat.str-el

Experimental nuclear quadrupole resonance and computational study of the structurally refined topological semimetal TaSb$_2$

The local electric field gradients and magnetic dynamics of TaSb$_2$ have been studied using $^{121}$Sb, $^{123}$Sb, and $^{181}$Ta nuclear quadrupole resonance (NQR) with density functional theory (DFT) calculations using XRD-determined crystal structures. By measuring all structurally expected thirteen NQR lines, the nuclear quadrupole coupling constant ($\nu_Q$) and asymmetric parameter ($\eta$) for Ta, Sb(1), and Sb(2) sites were obtained. These values are all in good agreement with the presented DFT calculations. Principal axes of the electric field gradients was determined for a single-crystal sample by measuring the angular dependencies of NMR frequency under a weak magnetic field. The unusual temperature dependence of $\eta$(T) of Sb(2) hints at the suppressed thermal expansion along the $a$-axis. Spin lattice relaxation rate ($1/T_1T$) measurements reveal an activated-type behavior and an upturn below 30 K. Neither the low temperature upturn nor the high temperature activation type behaviors are reproduced by the calculated $1/T_1T$ based on the calculated density of states (DOS). On the other hand, the agreement between the calculated DOS and specific heat measurements indicates that the band renormalization is small. This fact indicates that TaSb$_2$ deviates from the simple semimetal scenario, and magnetic excitations are not captured by Fermi liquid theory.

cond-mat.str-el

Low-energy spin excitations of the frustrated ferromagnetic $J_1$-$J_2$ chain material linarite, PbCuSO$_4$(OH)$_2$, in applied magnetic fields $\mathbf{H} \parallel b$ axis

We report a study of the spin dynamics of the frustrated ferromagnetic $J_1$-$J_2$ chain compound linarite, PbCuSO$_4$(OH)$_2$, in applied magnetic fields up to field polarization. By means of an extreme-environment inelastic neutron scattering experiment, we have measured the low-energy spin excitations of linarite in fields up to 8.8 T for $\mathbf{H} \parallel b$ axis. We have recorded the spin excitation spectra along $h$, $k$ and $l$ for the field-induced magnetic phases IV, V and the field polarized state close to saturation. By employing first-principles calculations, we estimate the leading magnetic exchanges out of the $bc$ plane and model the dispersion relations using linear spin-wave theory. In this way, we find evidence for a (very weak) residual magnetic exchange coupling out of the $bc$ plane. Together with the previously established dominant intrachain couplings $J_1$ and $J_2$ and the interchain coupling $J_3$, we derive an effective set of exchange couplings for a microscopic description of linarite. Further, we find that the peculiar character of phase V manifests itself in the measured spin dynamics.

cond-mat.str-el

Symmetry Conserving Maximally Projected Wannier Functions

To obtain a local description from highly accurate density functional theory codes that are based on modified plane wave bases, a transformation to a local orthonormal Wannier function basis is required. In order to do so while enforcing the constraints of the space group symmetry the Symmetry Conserving Maximally Projected Wannier Functions (SCMPWF) approach has been implemented in the Full-Potential-Local-Orbital code, FPLO. SCMPWFs represent the zeroth order approximation to maximally localized Wannier functions, projecting a subset of wave functions onto a set of suitably chosen local trial-functions with subsequent orthonormalization. The particular nature of the local orbitals in FPLO make them an ideal set of projectors, since they are constructed to be a chemical basis. While in many cases projection onto the FPLO basis orbitals is sufficient, the option is there to choose particular local linear combinations as projectors, in order to treat cases of bond centered Wannier functions. This choice turns out to lead to highly localized Wannier functions, which obey the space group symmetry of the crystal by construction. Furthermore we discuss the interplay of the Berry connection and position operator and especially its possible approximation, symmetries and the optimal choice of Bloch sum phase gauge in cases where the basis is not explicitly known. We also introduce various features which are accessible via the FPLO implementation of SCMPWFs, discuss and compare performance and provide example applications.

cond-mat.mtrl-sci

Frustration enhanced by Kitaev exchange in a $\boldsymbol{\tilde{j}_{\text{eff}}=\frac12}$ triangular antiferromagnet

Triangular Heisenberg antiferromagnets are prototypes of geometric frustration, even if for nearest-neighbor interactions quantum fluctuations are not usually strong enough to destroy magnetic ordering: stronger frustration is required to stabilize a spin-liquid phase. On the basis of static magnetization and electron spin resonance measurements, we demonstrate the emergence of ${\tilde{j}_{\text{eff}}=\frac12}$ moments in the triangular-lattice magnet Na$_2$BaCo(PO$_4$)$_2$. These moments are subject to an extra source of frustration that causes magnetic correlations to set in far above both the magnetic ordering and Weiss temperatures. Corroborating the $\tilde{j}_{\text{eff}}=\frac12$ ground state, theory identifies ferromagnetic Kitaev exchange anisotropy as additional frustrating agent, altogether putting forward Na$_2$BaCo(PO$_4$)$_2$ as a promising Kitaev spin-liquid material.

cond-mat.str-el

Ab initio ligand field approach to determine electronic multiplet properties

A method is developed to calculate the ligand field (LF) parameters and the multiplet spectra of local magnetic centers with open $d$- and $f$-shells in solids in a parameter-free way. This method proceeds from density functional theory and employs Wannier projections of nonmagnetic band structures onto local $d$- or $f$-orbitals. Energies of multiplets and optical, as well as X-ray spectra are determined by exact numerical diagonalization of a local Hamiltonian describing Coulomb, LF, and spin-orbit interactions. The method is tested for several 3$d$- and 5$f$-compounds for which the LF parameters and multiplet spectra are experimentally well known. In this way, we obtain good agreement with experiment for La$_2$NiO$_4$, CaCuO$_2$, Li$_2$CuO$_2$, ZnO:Co, and UO$_2$.

cond-mat.str-el

Status of the STUDIO UV balloon mission and platform

Stratospheric balloons offer accessible and affordable platforms for observations in atmosphere-constrained wavelength ranges. At the same time, they can serve as an effective step for technology demonstration towards future space applications of instruments and other hardware. The Stratospheric UV Demonstrator of an Imaging Observatory (STUDIO) is a balloon-borne platform and mission carrying an imaging micro-channel plate (MCP) detector on a 0.5 m aperture telescope. STUDIO is currently planned to fly during the summer turnaround conditions over Esrange, Sweden, in the 2022 season. For details on the ultraviolet (UV) detector, see the contribution of Conti et al. to this symposium. The scientific goal of the mission is to survey for variable hot compact stars and flaring M-dwarf stars within the galactic plane. At the same time, the mission acts as a demonstrator for a versatile and scalable astronomical balloon platform as well as for the aforementioned MCP instrument. The gondola is designed to allow the use of different instruments or telescopes. Furthermore, it is designed to serve for several, also longer, flights, which are envisioned under the European Stratospheric Balloon Observatory (ESBO) initiative. In this paper, we present the design and current status of manufacturing and testing of the STUDIO platform. We furthermore present the current plans for the flight and observations from Esrange.

astro-ph.IM

Interplay of electron correlations, spin-orbit couplings, and structural effects for Cu centers in the quasi-two-dimensional magnet InCu$_{2/3}$V$_{1/3}$O$_3$

Less common ligand coordination of transition-metal centers is often associated with peculiar valence-shell electron configurations and outstanding physical properties. One example is the Fe$^+$ ion with linear coordination, actively investigated in the research area of single-molecule magnetism. Here we address the nature of 3$d^9$ states for Cu$^{2+}$ ions sitting in the center of trigonal bipyramidal ligand cages in the quasi-two-dimensional honeycomb compound InCu$_{2/3}$V$_{1/3}$O$_3$, whose unusual magnetic properties were intensively studied in the recent past. In particular, we discuss the interplay of structural effects, electron correlations, and spin-orbit couplings in this material. A relevant computational finding is a different sequence of the Cu ($xz$, $yz$) and ($xy$, $x^2\!-\!y^2$) levels as compared to existing electronic-structure models, which has implications for the interpretation of various excitation spectra. Spin-orbit interactions, both first- and second-order, turn out to be stronger than previously assumed, suggesting that rather rich single-ion magnetic properties can be in principle achieved also for the 3$d^9$ configuration by properly adjusting the sequence of crystal-field states for such less usual ligand coordination.

cond-mat.str-el

Destruction of long-range magnetic order in an external magnetic field and the associated spin dynamics in Cu2GaBO5 and Cu2AlBO5 ludwigites

The quantum spin systems Cu$_2$M'BO$_5$ (M' = Al, Ga) with the ludwigite crystal structure consist of a structurally ordered Cu$^{2+}$ sublattice in the form of three-leg ladders, interpenetrated by a structurally disordered sublattice with a statistically random site occupation by magnetic Cu$^{2+}$ and nonmagnetic Ga$^{3+}$ or Al$^{3+}$ ions. A microscopic analysis based on density-functional-theory calculations for Cu$_2$GaBO$_5$ reveals a frustrated quasi-two-dimensional spin model featuring five inequivalent antiferromagnetic exchanges. A broad low-temperature $^{11}$B nuclear magnetic resonance points to a considerable spin disorder in the system. In zero magnetic field, antiferromagnetic order sets in below $T_\text{N}$ $\approx$ 4.1 K and ~2.4 K for the Ga and Al compounds, respectively. From neutron diffraction, we find that the magnetic propagation vector in Cu$_2$GaBO$_5$ is commensurate and lies on the Brillouin-zone boundary in the (H0L) plane, $\mathbf{q}_\text{m}$ = (0.45 0 -0.7), corresponding to a complex noncollinear long-range ordered structure with a large magnetic unit cell. Muon spin relaxation is monotonic, consisting of a fast static component typical for complex noncollinear spin systems and a slow dynamic component originating from the relaxation on low-energy spin fluctuations. Gapless spin dynamics in the form of a diffuse quasielastic peak is also evidenced by inelastic neutron scattering. Most remarkably, application of a magnetic field above 1 T destroys the static long-range order, which is manifested in the gradual broadening of the magnetic Bragg peaks. We argue that such a crossover from a magnetically long-range ordered state to a spin-glass regime may result from orphan spins on the structurally disordered magnetic sublattice, which are polarized in magnetic field and thus act as a tuning knob for field-controlled magnetic disorder.

cond-mat.str-el

Ground state and low-temperature magnetism of the quasi-two-dimensional honeycomb compound InCu$_{2/3}$V$_{1/3}$O$_3$

We report a combined $^{115}$In NQR, $^{51}$V NMR and $μ$SR spectroscopic study of the low-temperature magnetic properties of InCu$_{2/3}$V$_{1/3}$O$_3$, a quasi-two dimensional (2D) compound comprising in the spin sector a honeycomb lattice of antiferromagnetically coupled spins $S=1/2$ associated with Cu$^{2+}$ ions. Despite substantial experimental and theoretical efforts, the ground state of this material was has not been ultimately identified. In particular, two characteristic temperatures of about $\sim 40$ K and $\sim 20$ K manifesting themselves as anomalies in different magnetic measurements are discussed controversially. A combined analysis of the experimental data complemented with theoretical calculations of exchange constants enabled us to identify below 39 K an ``intermediate'' quasi-2D static spin state. This spin state is characterized by a staggered magnetization with a temperature evolution that agrees with the predictions for the 2D XY model. We observe that this state gradually transforms at 15 K into a fully developed 3D antiferromagnetic Néel state. We ascribe such an extended quasi-2D static regime to an effective magnetic decoupling of the honeycomb planes due to a strong frustration of the interlayer exchange interactions which inhibits long-range spin-spin correlations across the planes. Interestingly, we find indications of the topological Berezinsky-Kosterlitz-Thouless transition in the quasi-2D static state of the honeycomb spin-1/2 planes of InCu$_{2/3}$V$_{1/3}$O$_3$.

cond-mat.str-el

Dynamical mean field theory for oxide heterostructures

Transition metal oxide heterostructures often, but by far not always, exhibit strong electronic correlations. State-of-the-art calculations account for these by dynamical mean field theory (DMFT). We discuss the physical situations in which DMFT is needed, not needed, and where it is actually not sufficient. By means of an example, SrVO$_3$/SrTiO$_3$, we discuss step-by-step and figure-by-figure a density functional theory(DFT)+DMFT calculation. The second part reviews DFT+DMFT calculations for oxide heterostructure focusing on titanates, nickelates, vanadates, and ruthenates.

cond-mat.str-el

Magnetic anisotropy in the frustrated spin chain compound $β$-TeVO$_4$

Isotropic and anisotropic magnetic behavior of the frustrated spin chain compound $β$-TeVO$_4$ is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along $a$ or $b$ and along $c$, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at $T_{\rm N1}$ and $T_{\rm N2}$ toward the spin-density-wave and stripe phases are of the second order, whereas the transition at $T_{\rm N3}$ toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated $J_1-J_2$ spin chains with a sizable antiferromagnetic interchain coupling in the $bc$ plane and ferromagnetic couplings along the $a$ direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the $a$-direction, as observed experimentally. Although a helical state is triggered by the competition between $J_1$ and $J_2$ within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Using high-resolution synchrotron diffraction and $^{125}$Te nuclear magnetic resonance, we also demonstrate that the crystal structure of $β$-TeVO$_4$ does not change down to 10 K, and the orbital state of V$^{4+}$ is preserved.

cond-mat.mtrl-sci

Magnetic behavior of volborthite Cu3V2O7(OH)2(H2O)2 determined by coupled trimers rather than frustrated chains

Motivated by recent experiments on volborthite single crystals showing a wide 1/3-magnetization plateau, we perform microscopic modeling by means of density functional theory (DFT) with the single-crystal structural data as a starting point. Using DFT+U, we find four leading magnetic exchanges: antiferromagnetic J and J2, as well as ferromagnetic J' and J1. Simulations of the derived spin Hamiltonian show good agreement with the experimental low-field magnetic susceptibility and high-field magnetization data. The 1/3-plateau phase pertains to polarized magnetic trimers formed by strong J bonds. An effective J$\rightarrow\infty$ model shows a tendency towards condensation of magnon bound states preceding the plateau phase.

cond-mat.str-el

Consequences of critical interchain couplings and anisotropy on a Haldane chain

Effects of interchain couplings and anisotropy on a Haldane chain have been investigated by single crystal inelastic neutron scattering and density functional theory (DFT) calculations on the model compound SrNi$_2$V$_2$O$_8$. Significant effects on low energy excitation spectra are found where the Haldane gap ($Δ_0 \approx 0.41J$; where $J$ is the intrachain exchange interaction) is replaced by three energy minima at different antiferromagnetic zone centers due to the complex interchain couplings. Further, the triplet states are split into two branches by single-ion anisotropy. Quantitative information on the intrachain and interchain interactions as well as on the single-ion anisotropy are obtained from the analyses of the neutron scattering spectra by the random phase approximation (RPA) method. The presence of multiple competing interchain interactions is found from the analysis of the experimental spectra and is also confirmed by the DFT calculations. The interchain interactions are two orders of magnitude weaker than the nearest-neighbour intrachain interaction $J$ = 8.7~meV. The DFT calculations reveal that the dominant intrachain nearest-neighbor interaction occurs via nontrivial extended superexchange pathways Ni--O--V--O--Ni involving the empty $d$ orbital of V ions. The present single crystal study also allows us to correctly position SrNi$_2$V$_2$O$_8$ in the theoretical $D$-$J_{\perp}$ phase diagram [T. Sakai and M. Takahashi, Phys. Rev. B 42, 4537 (1990)] showing where it lies within the spin-liquid phase.

cond-mat.str-el

Microscopic magnetic modeling for the $S$=1/2 alternating chain compounds Na$_3$Cu$_2$SbO$_6$ and Na$_2$Cu$_2$TeO$_6$

The spin-1/2 alternating Heisenberg chain system Na$_3$Cu$_2$SbO$_6$ features two relevant exchange couplings: $J_{1a}$ within the structural Cu$_2$O$_6$ dimers and $J_{1b}$ between the dimers. Motivated by the controversially discussed nature of $J_{1a}$, we perform extensive density-functional-theory (DFT) calculations, including DFT+$U$ and hybrid functionals. Fits to the experimental magnetic susceptibility using high-temperature series expansions and quantum Monte Carlo simulations yield the optimal parameters $J_{1a}$ = $-$217 K and $J_{1b}$ = 174 K with the alternation ratio $α= J_{1a}/J_{1b} \simeq$ $-$1.25. For the closely related system Na$_2$Cu$_2$TeO$_6$, DFT yields substantially enhanced $J_{1b}$, but weaker $J_{1a}$. The comparative analysis renders the buckling of the chains as the key parameter altering the magnetic coupling regime. Numerical simulation of the dispersion relations of the alternating chain model clarify why both antiferromagnetic and ferrromagnetic $J_{1a}$ can reproduce the experimental magnetic susceptibility data.

cond-mat.str-el

The quantum origins of skyrmions and half-skyrmions in Cu2OSeO3

The Skyrme-particle, the $skyrmion$, was introduced over half a century ago and used to construct field theories for dense nuclear matter. But with skyrmions being mathematical objects - special types of topological solitons - they can emerge in much broader contexts. Recently skyrmions were observed in helimagnets, forming nanoscale spin-textures that hold promise as information carriers. Extending over length-scales much larger than the inter-atomic spacing, these skyrmions behave as large, classical objects, yet deep inside they are of quantum origin. Penetrating into their microscopic roots requires a multi-scale approach, spanning the full quantum to classical domain. By exploiting a natural separation of exchange energy scales, we achieve this for the first time in the skyrmionic Mott insulator Cu$_2$OSeO$_3$. Atomistic ab initio calculations reveal that its magnetic building blocks are strongly fluctuating Cu$_4$ tetrahedra. These spawn a continuum theory with a skyrmionic texture that agrees well with reported experiments. It also brings to light a decay of skyrmions into half-skyrmions in a specific temperature and magnetic field range. The theoretical multiscale approach explains the strong renormalization of the local moments and predicts further fingerprints of the quantum origin of magnetic skyrmions that can be observed in Cu$_2$OSeO$_3$, like weakly dispersive high-energy excitations associated with the Cu$_4$ tetrahedra, a weak antiferromagnetic modulation of the primary ferrimagnetic order, and a fractionalized skyrmion phase.

cond-mat.str-el

Magnetic pyroxenes LiCrGe2O6 and LiCrSi2O6: dimensionality crossover in a non-frustrated S=3/2 Heisenberg model

The magnetism of magnetoelectric $S$ = 3/2 pyroxenes LiCrSi$_2$O$_6$ and LiCrGe$_2$O$_6$ is studied by density functional theory (DFT) calculations, quantum Monte Carlo (QMC) simulations, neutron diffraction, as well as low-field and high-field magnetization measurements. In contrast with earlier reports, we find that the two compounds feature remarkably different, albeit non-frustrated magnetic models. In LiCrSi$_2$O$_6$, two relevant exchange integrals, $J_1 \simeq$ 9 K along the structural chains and $J_{\text{ic1}}$ $\simeq$ 2 K between the chains, form a 2D anisotropic honeycomb lattice. In contrast, the spin model of LiCrGe$_2$O$_6$ is constituted of three different exchange couplings. Surprisingly, the leading exchange $J_{\text{ic1}}$ $\simeq$ 2.3 K operates between the chains, while $J_1$ $\simeq$ 1.2 K is about two times smaller. The additional interlayer coupling $J_{\text{ic2}}$ $\simeq$ $J_1$ renders this model 3D. QMC simulations reveal excellent agreement between our magnetic models and the available experimental data. Underlying mechanisms of the exchange couplings, magnetostructural correlations, as well as implications for other pyroxene systems are discussed.

cond-mat.str-el