SearcharxivSearch

arXiv subjects

D. Sheptyakov

Publications and source records attributed to D. Sheptyakov.

At least 19 recordsLinked to original sources

Magnetic phase diagram and spin Hamiltonian of antiferromagnet Cs$_2$CoI$_4$

We report comprehensive thermodynamic and neutron scattering measurements on the $S$ = 3/2 antiferromagnet Cs$_2$CoI$_4$, a member of the thoroughly studied family of frustrated magnets Cs$_2MX_4$ ($M$ = Cu, Co, Ru, $X$ = Br, Cl, I, O). Unlike previously studied members, Cs$_2$CoI$_4$ undergoes a structural phase transition, for which we determine the low-temperature crystallographic structure. The resulting symmetry reduction strongly affects both the magnetic exchange interactions and single-ion anisotropy. Despite the large parameter space, we propose a minimal magnetic Hamiltonian that reasonably captures the observed excitation spectrum, analyzed using extended SU(4) linear spin-wave theory.

cond-mat.str-el

Magnetic order in the quasi-one-dimensional Ising system RbCoCl$_3$

The dynamical properties of free and bound domain-wall excitations in Ising-chain materials have recently become the focus of intense research interest. New materials and spectrometers have made it possible to control the environment of coupled Ising chains by both effective internal and applied external fields, which can be both longitudinal and transverse, and thus to demonstrate how the resulting magnetic phase transitions and the nature of the associated excited states obey fundamental symmetry properties. In RbCoCl$_3$, the weakly coupled Ising chains form a triangular lattice whose frustrated geometry and magnetic ordering transitions at low temperature open new possibilities for the Ising-chain environment. We have investigated the structure and magnetism in RbCoCl$_3$ by high-resolution x-ray diffraction and neutron scattering measurements on powder and single crystal samples between 1.5 K and 300 K. Upon cooling, the Co$^{2+}$ spins develop one-dimensional antiferromagnetic correlations along the chain axis ($c$-axis) below 90 K. Below the first N\'eel temperature, $T_{N1}$ = 28 K, a partial 3D magnetic order sets in, with propagation vector ${\vec k}_1$ = (1/3,1/3,1), the moments aligned along the $c$-axis and every third chain uncorrelated from its neighbours. Only below a second magnetic phase transition at $T_{N2}$ = 13 K does the system achieve a fully ordered state, with two additional propagation vectors: ${\vec k}_2$ = (0,0,1) establishes a "honeycomb" $c$-axis order, in which 1/3 of the chains are subject to a strong effective mean field due to their neighbours whereas 2/3 experience no net field, while ${\vec k}_3$ = (1/2,0,1) governs a small, staggered in-plane ordered moment. We conclude that RbCoCl$_3$ is an excellent material to study the physics of Ising chains in a wide variety of temperature-controlled environments.

cond-mat.str-el

Room-temperature structural phase transition in the quasi-2D spin-1/2 Heisenberg antiferromagnet Cu(pz)$_2$(ClO$_4$)$_2$

Cu(pz)$_2$(ClO$_4$)$_2$ (with pz denoting pyrazine C$_4$H$_4$N$_2$) is a two-dimensional spin-1/2 square-lattice antiferromagnet with $T_{\mathrm{N}}$ = 4.24 K. Due to a persisting focus on the low-temperature magnetic properties, its room-temperature structural and physical properties caught no attention up to now. Here we report a study of the structural features of Cu(pz)$_2$(ClO$_4$)$_2$ in the paramagnetic phase, up to 330 K. By employing magnetization, specific heat, $^{35}$Cl nuclear magnetic resonance, and neutron diffraction measurements, we provide evidence of a second-order phase transition at $T^{\star}$ = 294 K, not reported before. The absence of a magnetic ordering across $T^{\star}$ in the magnetization data, yet the presence of a sizable anomaly in the specific heat, suggest a structural order-to-disorder type transition. NMR and neutron-diffraction data corroborate our conjecture, by revealing subtle angular distortions of the pyrazine rings and of ClO$^-_4$ counteranion tetrahedra, shown to adopt a configuration of higher symmetry above the transition temperature.

cond-mat.mtrl-sci

Distortion mode anomalies in bulk PrNiO$_3$ illustrating the potential of symmetry-adapted distortion mode analysis for the study of phase transitions

The origin of the metal-to-insulator transition in RNiO3 perovskites with trivalent 4f ion has challenged the condensed matter research community for almost three decades. A drawback for progress in this direction has been the lack of studies combining physical properties and accurate structural data covering the full nickelate phase diagram. Here we focus on a small region close to the itinerant limit (R = Pr, 1.5K < T < 300K), where we investigate the gap opening and the simultaneous emergence of charge order in PrNiO3. We combine electric resistance, magnetization, and heat capacity measurements with high resolution neutron and synchrotron x-ray powder diffraction data that, in contrast to previous studies, we analyze in terms of symmetry-adapted distortion modes. Such analysis allows to identify the contribution of the different modes to the global distortion in a broad temperature range. Moreover, it shows that the structural changes at the MIT, traditionally described in terms of the evolution of the interatomic distances and angles, appear as abrupt increases of all nonzero mode amplitudes at TMIT = TN ~130K accompanied by the appearance of new modes below this temperature. A further interesting observation is the existence of a nearly perfect linear correlation between the amplitude of the breathing mode associated to the charge order and the staggered magnetization below the MIT. Our data also uncover a previously unnoticed anomaly at T* ~60K (~0.4 x TMIT), clearly visible in the electrical resistance, lattice parameters and some mode amplitudes. Since phase coexistence is only observed in a small temperature region around TMIT (~10K), these observations suggest the existence of a hidden symmetry in the insulating phase. We discuss some possible origins, among them the theoretically predicted existence of polar distortions induced by the non-centrosymmetric magnetic order.

cond-mat.str-el

Valence, exchange interaction, and location of Mn in polycrystalline Mn(x)Ga(1-x)N (x<0.04)

We present an experimental study for polycrystalline samples of the diluted magnetic semiconductor Mn(x)Ga(1-x)N (x<0.04) in order to address some of the existing controversial issues. Different techniques were used to characterize the electronic, magnetic, and structural properties of the samples, and inelastic neutron scattering was employed to determine the magnetic excitations associated with Mn monomers and dimers. Our main conclusions are as follows: (i) The valence of the Mn ions is 2+. (ii) The Mn(2+) ions experience a substantial single-ion axial anisotropy with parameter D=0.027(3) meV. (iii) Nearest-neighbor Mn(2+) ions are coupled antiferromagnetically. The exchange parameter J= 0.140(7) meV is independent of the Mn content x, i.e., there is no evidence for hole-induced modifications of J towards a potentially high Curie temperature postulated in the literature.

cond-mat.mtrl-sci

Ba$_{3}$M$_{x}$Ti$_{3-x}$O$_{9}$(M = Ir, Rh): A family of 5\textit{\textcolor{black}{d}}/4\textit{\textcolor{black}{d}}-based, diluted quantum spin liquids

We report the structural and magnetic properties of the 4}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Rh) based and 5}\textit{\textcolor{black}{d }}\textcolor{black}{(M = Ir) based systems Ba$_{3}$M$_{x}$Ti$_{3-x}$O$_{9}$ (nominally $x$ = 0.5, 1). The studied compositions were found to crystallize in a hexagonal structure with the centrosymmetric space group }$P6_{3}/mmc$.\textcolor{black}{{} The structures comprise of A$_{2}$O$_{9}$ polyhedra (with the A site (possibly) statistically occupied by M and Ti) in which pairs of transition metal ions are stacked along the crystallographic }\textit{\textcolor{black}{c}}\textcolor{black}{-axis. These pairs form triangular bilayers in the $ab$-plane. The magnetic Rh and Ir ions occupy these bilayers, diluted by Ti ions even for $x$ = 1. These bilayers are separated by a triangular layer which is dominantly occupied by Ti ions. From magnetization measurements we infer strong antiferromagnetic couplings for all of the materials but the absence of any spin-freezing or spin-ordering down to 2~K. Further, specific heat measurements down to 0.35~K show no sign of a phase transition for any of the compounds. Based on these thermodynamic measurements we propose the emergence of a quantum spin liquid ground state for Ba$_{3}$Rh$_{0.5}$Ti$_{2.5}$O$_{9}$, and Ba$_{3}$Ir$_{0.5}$Ti$_{2.5}$O$_{9}$, in addition to the already reported Ba$_{3}$IrTi$_{2}$O$_{9}$. }

cond-mat.str-el

Sc_{2}Ga_{2}CuO_{7}: A possible Quantum spin liquid near the percolation threshold

Sc$_{2}$Ga$_{2}$CuO$_{7}$ (SGCO) crystallizes in a hexagonal structure (space group: $P$$6$$_{3}/mmc$),\textcolor{black}{{} which can be seen as an alternating stacking of single and double triangular layers. Combining neutron, x-ray, and resonant x-ray diffraction we establish that the single triangular layers are mainly populated by non-magnetic Ga$^{3+}$ ions (85\% Ga and 15\% Cu), while the bi-layers have comparable population of Cu$^{2+}$ and Ga$^{3+}$} ions \textcolor{black}{(43\% Cu and 57\% Ga)}. Our susceptibility measurements in the temperature range 1.8 - 400 K give no indication of any spin-freezing or magnetic long-range order (LRO). We infer an effective paramagnetic moment $\mu_{eff}=1.79\pm0.09$ $\mu_{B}$ and a Curie-Weiss temperature $\theta_{CW}$ of about $-44$ K, suggesting antiferromagnetic interactions between the Cu$^{2+}$($S=1/2$) ions. Low-temperature neutron powder diffraction data showed no evidence for LRO down to 1.5 K. In our specific heat data as well, no anomalies were found down to 0.35 K, in the field range 0-140 kOe.\textcolor{black}{{} The magnetic specific heat, $C_{m}$, exhibits a broad maximum at around 2.5 K followed by a nearly power law $C$$_{m}$$\propto$ $T$$^{\alpha}$ behavior at lower temperatures, with $\alpha$ increasing from }0.3\textcolor{black}{{} to} 1.9\textcolor{black}{{} as a function of field for fields upto 90 kOe and then remaining at 1.9 for fields upto 140 kOe. Our results point to a disordered ground state in SGCO. }

cond-mat.str-el

Nd2Sn2O7: an all-in-all-out pyrochlore magnet with no divergence-free field and anomalously slow paramagnetic spin dynamics

We report measurements performed on a polycrystalline sample of the pyrochlore compound Nd2Sn2O7. It undergoes a second order magnetic phase transition at Tc ~ 0.91 K to a noncoplanar all-in-all-out magnetic structure of the Nd3+ magnetic moments. The thermal behavior of the low temperature specific heat fingerprints excitations with linear dispersion in a three-dimensional lattice. The temperature independent spin-lattice relaxation rate measured below Tc and the anomalously slow paramagnetic spin dynamics detected up to ~ 30 Tc are suggested to be due to magnetic short-range correlations in unidimensional spin clusters, i.e., spin loops. The observation of a spontaneous field in muon spin relaxation measurements is associated with the absence of a divergence-free field for the ground state of an all-in-all-out pyrochlore magnet as predicted recently.

cond-mat.str-el

Spin-orbital liquid state assisted by singlet-triplet excitation in $J~=~0$ ground state of Ba$_3$ZnIr$_2$O$_9$

Strong spin-orbit coupling (SOC) effects of heavy $d$-orbital elements have long been neglected in describing the ground states of their compounds thereby overlooking a variety of fascinating and yet unexplored magnetic and electronic states, until recently. The spin-orbit entangled electrons in such compounds can get stabilized into unusual spin-orbit multiplet $J$-states which warrants severe investigations. Here we show using detailed magnetic and thermodynamic studies and theoretical calculations the ground state of Ba$_3$ZnIr$_2$O$_9$, a 6$H$ hexagonal perovskite is a close realisation of the elusive $J$~=~0 state. However, we find that local Ir moments are spontaneously generated due to the comparable energy scales of the singlet-triplet splitting driven by SOC and the superexchange interaction mediated by strong intra-dimer hopping. While the Ir ions within the structural Ir$_2$O$_9$ dimer prefers to form a spin-orbit singlet state (SOS) with no resultant moment, substantial interdimer exchange interactions from a frustrated lattice ensure quantum fluctuations till the lowest measured temperatures and stabilize a spin-orbital liquid phase.

cond-mat.str-el

Oxygen Isotope Effects on Lattice Properties of La_{2-x}Ba_xCuO_4 (x = 1/8)

A novel negative oxygen-isotope (16O/18O) effect (OIE) on the low-temperature tetragonal phase transition temperature T_{LTT} was observed in La_{2-x}Ba_xCuO_4 (x = 1/8) using high-resolution neutron powder diffraction. The corresponding OIE exponent alpha(T_{LTT}) = - 0.36(5) has the same sign as alpha(T_{so}) = -0.57(6) found for the spin-stripe order temperature T_so. The fact that the LTT transition is accompanied by charge ordering (CO) implies the presence of an OIE also for the CO temperature T_co. Furthermore, a temperature dependent shortening of the c-axis with the heavier isotope is observed. These results combined with model calculations demonstrate that anharmonic electron-lattice interactions are essential for all transitions observed in the stripe phase of cuprates.

cond-mat.supr-con

Jahn-Teller versus quantum effects in the spin-orbital material LuVO3

We report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity-analysis of extended magnetic excitation data sets. The results of this detailed study enabled us to draw definite conclusions about classical vs quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO3 and similar systems.

cond-mat.str-el

Incommensurate magnetic structure, Fe/Cu chemical disorder and magnetic interactions in the high-temperature multiferroic YBaCuFeO5

Motivated by the recent observations of incommensurate magnetic order and electric polarization in YBaCuFeO5 up to temperatures TN2 as high as 230K [1,2] we report here for the first time a model for the incommensurate magnetic structure of this material that we complement with ab-initio calculations of the magnetic exchange parameters. Using neutron powder diffraction we show that the appearance of polarization below TN2 is accompanied by the replacement of the high temperature collinear magnetic order by a circular inclined spiral with propagation vector ki=(1/2, 1/2, 1/2+-q). Moreover, we find that the polarization approximately scales with the modulus of the magnetic modulation vector q down to the lowest temperature investigated (T=3K). Further, we observe occupational Fe/Cu disorder in the FeO5-CuO5 bipyramids, although a preferential occupation of such units by Fe-Cu pairs is supported by the observed magnetic order and by density functional calculations. We calculate exchange coupling constants for different Fe/Cu distributions and show that, for those containing Fe-Cu dimers, the resulting magnetic order is compatible with the experimentally observed collinear magnetic structure (kc=(1/2, 1/2, 1/2), TN2 > T > TN1 = 440K). Based on these results we discuss possible origins for the incommensurate modulation and its coupling with ferroelectricity.

cond-mat.str-el

k=0 magnetic structure and absence of ferroelectricity in SmFeO3

SmFeO3 has attracted considerable attention very recently due to the reported multiferroic properties above room-temperature. We have performed powder and single crystal neutron diffraction as well as complementary polarization dependent soft X-ray absorption spectroscopy measurements on floating-zone grown SmFeO3 single crystals in order to determine its magnetic structure. We found a k=0 G-type collinear antiferromagnetic structure that is not compatible with inverse Dzyaloshinskii-Moriya interaction driven ferroelectricity. While the structural data reveals a clear sign for magneto-elastic coupling at the Néel-temperature of ~675 K, the dielectric measurements remain silent as far as ferroelectricity is concerned.

cond-mat.str-el

Low temperature crystal structure and local magnetometry for the geometrically frustrated pyrochlore Tb2Ti2O7

We report synchrotron radiation diffraction and muon spin rotation (muSR) measurements on the frustrated pyrochlore magnet Tb2Ti2O7. The powder diffraction study of a crushed crystal fragment does not reveal any structural change down to 4 K. The muSR measurements performed at 20 mK on a mosaic of single crystals with an external magnetic field applied along a three-fold axis are consistent with published a.c. magnetic-susceptibility measurements at 16 mK. While an inflection point could be present around an internal field intensity slightly above 0.3 T, the data barely support the presence of a magnetization plateau.

cond-mat.str-el

1D to 2D Na Ion Diffusion Inherently Linked to Structural Transitions in Na$_{0.7}$CoO$_{2}$

We report the observation of a stepwise "melting" of the low-temperature Na-vacancy order in the layered transition metal oxide Na0.7CoO2. High-resolution neutron powder diffraction indicates the existence of two first-order structural transitions, one at T1 = 290 K, followed by a second at T2 = 400 K. Detailed analysis reveals that both transitions are linked to changes in the Na mobility. Our data are consistent with a two-step disappearance of Na-vacancy order through the successive opening of first quasi-1D (T1 > T > T2) and then 2D (T > T2) Na diffusion paths. These results shed new light on previous, seemingly incompatible, experimental interpretations regarding the relationship between Na-vacancy order and Na dynamics in this material. They also represent an important step towards the tuning of physical properties and the design of tailored functional materials through an improved control and understanding of ionic diffusion.

cond-mat.str-el

Synthesis, crystal and magnetic structure of iron selenide BaFe2Se3 with possible superconductivity at Tc=11K

We report on synthesis of single crystals of BaFe2Se3 and study of their crystal and magnetic structures by means of synchrotron single crystal X-ray and neutron powder diffraction. The crystal structure has orthorhombic symmetry and consists of double chains of FeSe4 edge connected tetrahedra intercalated by barium. Below 240 K long range block-spin checkerboard antiferromagnetic (AFM) order is developed. The magnetic structure is similar to one observed in A0.8Fe1.6Se2 (A=K, Rb or Cs) superconductors. The crystals exhibit a transition to the diamagnetic state with an onset transition temperature of Tc ~11 K. Though we observe FeSe as an impurity phase (<0.8% mass fraction) the diamagnetism unlikely can be attributed to the FeSe-superconductor which has Tc\approx8.5K.

cond-mat.supr-con

Noncentrosymmetric Commensurate Magnetic Ordering of Multiferroic ErMn2O5

The non-centrosymmetric magnetic structure of ErMn$_2$O$_5$ has been shown to be very similar to that of HoMn$_2$O$_5$ (Vecchini {\it et al.}, 2008 Phys. Rev. B {\bf 77} 134434). The magnetic modulation at 25 K has propagation vector $\vec k$=(1/2,0,1/4) and the symmetry imposes very few constraints on the magnetic configurations allowed. Only by combining the results of bulk magnetisation measurements, powder and single crystal neutron diffraction and spherical neutron polarization analysis was it possible to distinguish clearly between different models. The susceptibility measurements show that the erbium magnetic moments are aligned parallel to the c-axis indicating strong single-ion anisotropy. Spherical neutron polarimetry demonstrates the presence of two unequally populated chirality domains in ErMn$_2$O$_5$ single crystals. X-ray diffraction measurements on an ErMn$_2$O$_5$ powder using synchrotron radiation show that the buckling angles of the Mn-O-Mn bond change below the transition to the ferroelectric phase.

cond-mat.mtrl-sci

High pressure behavior of CsC8 graphite intercalation compound

The high pressure phase diagram of CsC8 graphite intercalated compound has been investigated at ambient temperature up to 32 GPa. Combining X-ray and neutron diffraction, Raman and X- ray absorption spectroscopies, we report for the first time that CsC8, when pressurized, undergoes phase transitions around 2.0, 4.8 and 8 GPa. Possible candidate lattice structures and the transition mechanism involved are proposed. We show that the observed transitions involve the structural re- arrangement in the Cs sub-network while the distance between the graphitic layers is continuously reduced at least up to 8.9 GPa. Around 8 GPa, important modifications of signatures of the electronic structure measured by Raman and X-ray absorption spectroscopies evidence the onset of a new transition.

cond-mat.mtrl-sci