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V. Petricek

Publications and source records attributed to V. Petricek.

11 recordsLinked to original sources

Charge order above room-temperature in a prototypical kagome superconductor La(Ru$_{1-x}$Fe$_{x}$)$_{3}$Si$_{2}$

The kagome lattice is an intriguing and rich platform for discovering, tuning and understanding the diverse phases of quantum matter, which is a necessary premise for utilizing quantum materials in all areas of modern and future electronics in a controlled and optimal way. The system LaRu$_{3}$Si$_{2}$ was shown to exhibit typical kagome band structure features near the Fermi energy formed by the Ru-$dz^{2}$ orbitals and the highest superconducting transition temperature $T_{\rm c}$ ${\simeq}$ 7K among the kagome-lattice materials. However, the effect of electronic correlations on the normal state properties remains elusive. Here, we report the discovery of charge order in La(Ru$_{1-x}$Fe$_{x}$)$_{3}$Si$_{2}$ ($x$ = 0, 0.01, 0.05) beyond room-temperature. Namely, single crystal X-ray diffraction reveals charge order with a propagation vector of ($\frac{1}{4}$,0,0) below $T_{\rm CO-I}$ ${\simeq}$ 400K in all three compounds. At lower temperatures, we see the appearance of a second set of charge order peaks with a propagation vector of ($\frac{1}{6}$,0,0). The introduction of Fe, which is known to quickly suppress superconductivity, does not drastically alter the onset temperature for charge order. Instead, it broadens the scattered intensity such that diffuse scattering appears at the same onset temperature, however does not coalesce into sharp Bragg diffraction peaks until much lower in temperature. Our results present the first example of a charge ordered state at or above room temperature in the correlated kagome lattice with bulk superconductivity.

cond-mat.supr-con

Commensurate to incommensurate magnetic phase transition in Honeycomb-lattice pyrovanadate Mn2V2O7

We have synthesized single crystalline sample of Mn$_2$V$_2$O$_7$ using floating zone technique and investigated the ground state using magnetic susceptibility, heat capacity and neutron diffraction. Our magnetic susceptibility and heat capacity reveal two successive magnetic transitions at $T_{N1} =$ 19 K and $T_{N2} =$ 11.8 K indicating two distinct magnetically ordered phases. The single crystal neutron diffraction study shows that in the temperature ($T$) range 11.8 K $\le T \le$ 19 K the magnetic structure is commensurate with propagation vector $k_1 = (0, 0.5, 0)$, while upon lowering temperature below $T_{N2} =$ 11.8 K an incommensurate magnetic order emerges with $k_2 = (0.38, 0.48, 0.5)$ and the magnetic structure can be represented by cycloidal modulation of the Mn spin in $ac-$plane. We are reporting this commensurate to incommensurate transition for the first time. We discuss the role of the magnetic exchange interactions and spin-orbital coupling on the stability of the observed magnetic phase transitions.

cond-mat.str-el

Adaptive modulation in Ni2Mn1.4In0.6 magnetic shape memory Heusler alloy

The origin of incommensurate structural modulation in Ni-Mn based Heusler type magnetic shape memory alloys (MSMAs) is still an unresolved issue inspite of intense focus on this due to its role in the magnetic field induced ultra-high strains. In the archetypal MSMA Ni2MnGa, the observation of non-uniform displacement of atoms from their mean positions in the modulated martensite phase, premartensite phase and charge density wave as well as the presence of phason broadening of satellite peaks have been taken in support of the electronic instability model linked with a soft acoustic phonon. We present here results of a combined high resolution synchrotron x-ray powder diffraction (SXRPD) and neutron powder diffraction (NPD) study on Ni2Mn1.4In0.6 using (3+1)D superspace group approach, which reveal not only uniform atomic displacements in the modulated structure of the martensite phase with physically acceptable ordered magnetic moments in the antiferromagnetic phase at low temperatures but also the absence of any premartensite phase and phason broadening of the satellite peaks. Our HRTEM studies and first principles calculations of the ground state also support uniform atomic displacements predicted by powder diffraction studies. All these observations suggest that the structural modulation in the martensite phase of Ni2Mn1.4In0.6 MSMA can be explained in terms of the adaptive phase model. The present study underlines the importance of superspace group analysis using complimentary SXRPD and NPD in understanding the physics of the origin of modulation as well as the magnetic and the modulated ground states of the Heusler type MSMAs. Our work also highlights the fact that the mechanism responsible for the origin of modulated structure in different Ni-Mn based MSMAs may not be universal and it must be investigated thoroughly in different alloy compositions.

cond-mat.mtrl-sci

Room temperature tetragonal noncollinear antiferromagnet Pt$_2$MnGa

Here we present the tetragonal stoichiometric Heusler compound Pt$_2$MnGa with the noncollinear AFM order stable up to 350 K. It is resolved by the neutron diffraction as a helical spiral propagating along the tetragonal axis. Ab-initio calculations suggest a pure exchange origin of the spiral and explain its helical character being stabilized by a large basal plane magnetocrystalline anisotropy (MCA). Together with the inversion-symmetric crystal structure, this provides a bi-stability of a spiral with respect to the right- and left-handed magnetic helices. Despite the large MCA, the long period of a helix might greatly facilitate the switch of the helicity by the precessional reorientation, suggesting Pt$_2$MnGa as a potential candidate for the vector-helicity based non-volatile magnetic memory.

cond-mat.mtrl-sci

A high resolution synchrotron x-ray powder diffraction study of the incommensurate modulation in the martensite phase of Ni2MnGa: Evidence for nearly 7M modulation and phason broadening

The modulated structure of the martensite phase of Ni2MnGa is revisited using high resolution synchrotron x-ray powder diffraction (SXRPD) measurements, which reveals higher order satellite reflections up to the 3rd order and phason broadening of the satellite peaks. The structure refinement, using the (3+1) dimensional superspace group approach, shows that the modulated structure of Ni2MnGa can be described by orthorhombic superspace group Immm(00$γ$)s00 with lattice parameters a= 4.21861(2) Å, b= 5.54696(3) Å, and c= 4.18763(2) Å and an incommensurate modulation wave vector q= 0.43160(3)c*= (3/7+$δ$)c*, where $δ$=0.00303(3) is the degree of incommensuration of the modulated structure. Additional satellite peak broadening, which could not be accounted for in terms of the anisotropic strain broadening based on a lattice parameter distribution , has been modeled in terms of phasons using fourth rank covariant strain tensor representation for incommensurate structures. The simulation of single crystal diffraction patterns from the refined structural parameters unambiguously reveals a rational approximant structure with 7M modulation. The inhomogeneous displacement of different atomic sites on account of incommensurate modulation and the presence of phason broadening clearly rule out the adaptive phase model proposed recently by Kaufmann et al.[1] and suggests that the modulation in Ni2MnGa originates from soft-mode phonons.

cond-mat.mtrl-sci

Magnetic superspace groups and symmetry constraints in incommensurate magnetic phases

Although superspace formalism has become the standard approach for the analysis of structurally modulated crystals, it has remained during the last thirty years almost unexplored as a practical tool to deal with magnetic incommensurate structures. This situation has recently changed with the development of new computer tools for magnetic phases based on this formalism. In this context we show here that, as in the case of nonmagnetic incommensurate systems, the concept of superspace symmetry provides a simple, efficient and systematic way to characterize the symmetry and rationalize the structural and physical properties of incommensurate magnetic materials. The method introduces significant advantages over the most commonly employed method of representation analysis for the description of the magnetic structure of a crystal. But, more importantly, in contrast with that method, it consistently yields and classifies all degrees of freedom of the system. The knowledge of the superspace group of an incommensurate magnetic material allows to predict its crystal tensor properties and to rationalize its phase diagram, previous to any appeal to microscopic models or mechanisms. This is especially relevant when the properties of incommensurate multiferroics are being studied. We present first a summary of the superspace method under a very practical viewpoint particularized to magnetic modulations. Its relation with the usual representation analysis is then analyzed in detail, with the derivation of important general rules for magnetic modulations with a single propagation vector. The power and efficiency of the formalism is illustrated with various selected examples, including some multiferroic materials.

cond-mat.mtrl-sci

Structural Phase Transitions in SrRh2As2

SrRh2As2 exhibits structural phase transitions reminiscent to those of BaFe2As2, but crystallizes with three polymorphs derived from the tetragonal ThCr2Si2-type structure. The structure of α-SrRh2As2 is monoclinic with a = 421.2(1) pm, b = 1105.6(2) pm, c = 843.0(1) pm and β= 95° and was refined as a partially pseudo meroedric twin in the space group P21/c with R1 = 0.0928. β-SrRh2As2 crystallizes with a modulated structure in the (3+1) dimensional superspace group Fmmm(10γ)σ00 with the unit cell parameters a = 1114.4(3) pm, b = 574.4(2) pm and c = 611.5(2) pm and an incommensurable modulation vector q = (1, 0, 0.3311(4)). High temperature single crystal diffraction experiments confirm the tetragonal ThCr2Si2-type structure for γ-SrRh2As2 above 350°C. Electronic band structure calculations indicate that the structural distortion in alpha-SrRh2As2 is caused by strong Rh-Rh bonding interactions and has no magnetic origin as suggested for isotypic BaFe2As2.

cond-mat.supr-con

Single magnetic chirality in the magneto-electric NdFe$_3$($^{11}$BO$_3$)$_4$

We have performed an extensive study of single-crystals of the magneto-electric NdFe$_3$($^{11}$BO$_3$)$_4$ by means of a combination of single-crystal neutron diffraction and spherical neutron polarimetry. Our investigation did not detect significant deviations at low temperatures from space group R32 concerning the chemical structure. With respect to magnetic ordering our combined results demonstrate that in the commensurate magnetic phase below T$_N$~30 K all three magnetic Fe moments and the magnetic Nd moment are aligned ferromagnetically in the basal hexagonal plane but align antiferromagnetically between adjacent planes. The phase transition to the low-temperature incommensurate magnetic structure observed at T$_{IC}$~13.5 K appears to be continuous. By means of polarized neutron studies it could be shown that in the incommensurate magnetic phase the magnetic structure of NdFe$_3$($^{11}$BO$_3$)$_4$ is transformed into a long-period antiferromagnetic helix with single chirality. Close to the commensurate-incommensurate phase transition third-order harmonics were observed which in addition indicate the formation of magnetic solitons.

cond-mat.str-el

Neutron photocrystallography: simulation and experiment

The investigation of light-induced structural changes by diffractive methods has improved much in the last two decades. We present here the case of neutron photocrystallography for which we have built a special experimental setup at the single crystal neutron diffractometer TriCS at the Swiss Spallation Neutron Source SINQ. We illustrate the progress of the method on the example of the structural determination of photoinduced nitrosyl linkage-isomers in Na2[Fe(CN)5NO] 2H2O. The in-situ determination of the population of the light-induced linkage isomers by optical transmission measurements enhances the reliability of such structural investigations considerably. Additionally we present a new simulation tool within the program package JANA2006 which allows to plan a photocrystallographic experiment thoroughly since the required q-range, the minimally needed population of the photoinduced species, as well as the necessary counting statistics for a successful single crystal diffraction experiment can be evaluated in advance.

cond-mat.mtrl-sci

Reducing the positional modulation of NbO6-octahedra in SrxBa1-xNb2O6 by increasing the Barium content: A single crystal neutron diffraction study at ambient temperature for x=0.61 and x=0.34

We report on the influence of the Barium content on the modulation amplitude in SrxBa1-xNb2O6 compounds by comparing Sr0.61Ba0.39Nb2O6 (SBN61) and Sr0.34Ba0.66Nb2O6 (SBN34). Our single crystal neutron diffraction results demonstrate that the amplitude of the positional modulation of the NbO6 octahedra is reduced with increasing barium content, indicating that the origin of the modulation is the partial occupation of the pentagonal channels by Sr and Ba atoms. By increasing the Sr content the bigger Ba atoms are replaced by the smaller Sr atoms, which leads to a larger deformation of the surrounding lattice and hence to a larger modulation amplitude. The more homogeneous the filling of these channels with one atomic type (Ba) the lower the modulation amplitude. Our results also show that the structure can be described with a two-dimensional incommensurate harmonic modulation. No second order modulation has been observed, both by single crystal diffraction measurements and q-scans. The positional modulation of the Nb atoms is much smaller than that of the oxygen atoms, such that the modulation can be seen as a rotational modulation of almost rigid NbO6-octahedra.

cond-mat.mtrl-sci

Structural properties in Sr0.61a0.39Nb2O6 in the temperature range 10 K to 500 K investigated by high-resolution neutron powder diffraction and specific heat measurements

We report high-resolution neutron powder diffraction on Sr0.61Ba0.39Nb2O6, SBN61, in the temperature range 15-500 K. The results indicate that the low-temperature anomalies (T<100K) observed in the dielectric dispersion are due to small changes in the incommensurate modulation of the NbO6-octahedra, as no structural phase transition of the average structure was observed. This interpretation is supported by specific heat measurements, which show no latent heat, but a glass-like behavior at low temperatures. Furthermore we find that the structural changes connected with the ferroelectric phase transition at Tc approx. 350K start already at 200K, explaining the anisotropic thermal expansion in the temperature range 200-300K observed in a recent x-ray diffraction study.

cond-mat.mtrl-sci