arXiv subjects

V. Yu. Pomjakushin

Publications and source records attributed to V. Yu. Pomjakushin.

14 recordsLinked to original sources

arXiv2023

Long range 3D magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$): a neutron diffraction study

The crystal and magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$) were studied by neutron powder diffraction at temperatures 1.6-290 K. The crystal structures in all compounds are well refined in the monoclinic space group C2/c. The basic magnetic units of the compounds are copper hexamers which are coupled by weak superexchange interactions giving rise to three-dimensional long-range magnetic order below $3.0 $ for the simplest symmetric spin Hamiltonian (obtained from inelastic neutron spectroscopy) of the isolated hexamers in the mean field, amounted to $\left<{s}\right>$=3/8 for side spins Cu1 and Cu2 and $\left<{s}\right>$=1/4 for Cu3 in the middle. The Cu spins are FM coupled in pairs and AFM between neighboring pairs. The experimental magnetic moments of the Cu$^{2+}$ ions turn out to be not completely collinear due to spin frustrations within the weak interhexamer interactions. The sizes of magnetic moments of Cu in the hexamers determined from the diffraction data are in fair agreement with the calculated values.

cond-mat.mtrl-sci↗

arXiv2020

Hidden Magnetic Order in Triangular-Lattice Magnet Li2MnTeO6

The manganese tellurate Li2MnTeO6 consists of trigonal spin lattices made up of Mn4+ (d3, S = 3/2) ions. The magnetic properties of this compound were characterized by several experimental techniques, which include magnetic susceptibility, specific heat, dielectric permittivity, electron spin resonance (ESR), nuclear magnetic resonance (NMR) and neutron powder diffraction (NPD) measurements, and by density functional calculations (DFT). The magnetic susceptibility chi(T) demonstrates very unusual behavior. It isdescribed by the Curie-Weiss law at high temperature with Curie-Weiss temperature of Theta = -74 K, exhibits no obvious anomaly indicative of a long-range magnetic ordering at low magnetic fields. At high magnetic fields, however, the character of chi(T) changes showing a maximum at about 9 K. That this maximum of chi(T) reflects the onset of an antiferromagnetic order was confirmed by specific heat measurements, which exhibit a clear lambda-type anomaly at TN around 8.5 K even at zero magnetic field, and by 7Li NMR and dielectric permittivity measurements. The magnetic structure of Li2MnTeO6, determined by neutron powder diffraction measurements at 1.6 K, is described by the 120-degree non-collinear spin structure with the propagation vector k = (1/3, 1/3, 0). Consistent with this finding, the spin exchange interactions evaluated for Li2MnTeO6 by density functional calculations are dominated by the nearest-neighbor antiferromagnetic exchange within each triangular spin lattice. This spin lattice is strongly spin frustrated with f = |Theta|/TN around 8 and exhibits a two-dimensional magnetic character in a broad temperature range above TN.

cond-mat.mtrl-sci↗

arXiv2013

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↗

arXiv2012

Two types of adjacent dimer layers in the low temperature phase of BaCuSi2O6

The low-temperature crystal structure of BaCuSi2O6 has been investigated with high-resolution synchrotron x-ray and neutron powder diffraction techniques and has been found to be on average (ignoring the incommensurate modulation) orthorhombic, with the most probable space group Ibam. The Cu-Cu dimers in this material are forming two types of layers with distinctly different interatomic distances. Subtle changes also modify the partially frustrated interlayer Cu-Cu exchange paths. The present results corroborate the interpretation of low-temperature nuclear magnetic resonance and inelastic neutron scattering data in terms of distinct dimer layers.

cond-mat.str-el↗

arXiv2012

Synthesis of a new alkali metal-organic solvent intercalated iron selenide superconductor with Tc{\approx}45K

We report on a new iron selenide superconductor with a TC onset of 45K and the nominal composition Lix(C5H5N)yFe2-zSe2, synthesized via intercalation of dissolved alkaline metal in anhydrous pyridine at room temperature. This superconductor exhibits a broad transition, reaching zero resistance at 10K. Magnetization measurements reveal a superconducting shielding fraction of approximately 30%. Analogous phases intercalated with Na, K and Rb were also synthesized and characterized. The superconducting transition temperature of Lix(C5H5N)yFe2-zSe2 is clearly enhanced in comparison to the known superconductors FeSe0.98 (Tc ~ 8K) and AxFe2-ySe2 (TC ~ 27-32K) and is in close agreement with critical temperatures recently reported for Lix(NH3)yFe2-zSe2. Post-annealing of intercalated material (Lix(C5H5N)yFe2-zSe2) at elevated temperatures drastically enlarges the c-parameter of the unit cell (~44%) and increases the amount of superconducting shielding fraction to nearly 100%. Our findings indicate a new synthesis road leading to possibly even higher critical temperatures in this class of materials by intercalation of organic compounds between Fe-Se layers.

cond-mat.supr-con↗

arXiv2012

Intrinsic crystal phase separation in antiferromagnetic superconductor RbyFe2-xSe2: a diffraction study

The crystal and magnetic structures of the superconducting iron based chalcogenides RbyFe2-xSe2 have been studied by means of single crystal synchrotron x-ray and high resolution neutron powder diffraction in the temperature range 2-570 K. The ground state of the crystal is an intrinsically phase separated state with two distinct by symmetry phases. The main phase has the iron vacancy ordered \surd5x\surd5 superstructure (I4/m space group) with AFM ordered Fe spins. The minority phase does not have \surd5x\surd5-type of ordering and has smaller in plane lattice constant a and larger tetragonal c-axis and can be well described assuming the parent average vacancy disordered structure (I4/mmm space group) with the refined stoichiometry Rb0.60(5)(Fe1.10(5))Se)2. The minority phase amounts to 8-10% mass fraction. The unit cell volume of the minority phase is 3.2% smaller than the one of the main phase at T = 2 K and has quite different temperature dependence. The minority phase transforms to the main vacancy ordered phase on heating above the phase separation temperature T_P = 475 K. The spatial dimensions of the phase domains strongly increase above TP from 1000 Å to > 2500 Å due to the merging of the regions of the main phase that were separated by the second phase at low temperatures. Additional annealing of the crystals at the temperature T=488 K close to T_P for the long time drastically reduces the amount of the minority phase.

cond-mat.supr-con↗

arXiv2011

Interplay of composition, structure, magnetism, and superconductivity in SmFeAs1-xPxO1-y

Polycrystalline samples and single crystals of SmFeAs1-xPxO1-y were synthesized and grown employing different synthesis methods and annealing conditions. Depending on the phosphorus and oxygen content, the samples are either magnetic or superconducting. In the fully oxygenated compounds the main impact of phosphorus substitution is to suppress the Néel temperature TN of the spin density wave (SDW) state, and to strongly reduce the local magnetic field in the SDW state, as deduced from muon spin rotation measurements. On the other hand the superconducting state is observed in the oxygen deficient samples only after heat treatment under high pressure. Oxygen deficiency as a result of synthesis at high pressure brings the Sm-O layer closer to the superconducting As/P-Fe-As/P block and provides additional electron transfer. Interestingly, the structural modifications in response to this variation of the electron count are significantly different when phosphorus is partly substituting arsenic. Point contact spectra are well described with two superconducting gaps. Magnetic and resistance measurements on single crystals indicate an in-plane magnetic penetration depth of 200 nm and an anisotropy of the upper critical field slope of 4-5. PACS number(s): 74.70.Xa, 74.62.Bf, 74.25.-q, 81.20.-n

cond-mat.supr-con↗

arXiv2011

Room temperature antiferromagnetic order in superconducting X_yFe_{2-x}Se_ 2, (X= Rb, K): a powder neutron diffraction study

Magnetic and crystal structures of superconducting X yFe 2-xSe 2 (X= Rb and K with Tc=31.5 K and 29.5 K) have been studied by neutron powder diffraction at room temperature. Both crystals show ordered iron vacancy pattern and the crystal structure is well described in the I4/m space group with the lattice constants a=8.799, c=14.576 and a=8.730, c=14.115 A, and the refined stoichiometry x=0.30(1), y=0.83(2) and x=0.34(1), y=0.83(1) for Rb- and K-crystals respectively. The structure contains one fully occupied iron position and one almost empty vacancy position. Assuming that the iron moment is ordered only on the fully occupied site we have sorted out all eight irreducible representations (irreps) for the propagation vector k=0 and have found that irreps tau_2 and tau_7 well fit the experimental data with the moments along c-axis. The moment amplitudes amounted to 2.15(3) mu_B, 2.55(3) mu_B for tau_2 and 2.08(6) mu_B, 2.57(3) mu_B for tau_7 for Rb- and K-crystals respectively. Irrep tau_2 corresponds to the Shubnikov group I4/m' and gives a constant moment antiferromagnetic configuration, whereas tau_7 does not have Shubnikov counterpart and allows two different magnetic moments in the structure.

cond-mat.str-el↗

arXiv2011

Iron vacancy superstructure and possible room temperature antiferromagnetic order in superconducting Cs_{y}Fe_{2-x}Se_2

Neutron and x-ray powder and single crystal synchrotron diffraction of CsyFe2-xSe2 show the presence of superstructure reflections with propagation vector k=[2/5, 1/5, 1] with respect to the average crystal structure I4/mmm (a = 4, c = 15A). The propagation vector star corresponds to the 5 times bigger unit cell given by transformation A=2a+b, B= -a+2b, C= c. A solution for the atomic structure is found in the space groups P42/n and I4/m with an ordered pattern of iron vacancies corresponding to the iron deficiency x = 0.29 and Cs stoichiometry y = 0.83. The superstructure satellites are more pronounced in the neutron diffraction patterns suggesting that they can have some magnetic contribution. We have sorted out possible symmetry adapted magnetic configurations and found that the presence of AFM ordering with the ordered magnetic moment of Fe with 2μB does not contradict to the experimental data. However, the solutions space is highly degenerate and we cannot choose a specific solution. Instead we propose possible magnetic configurations with the Fe magnetic moments in (ab)-plane or along c-axis. The superstructure is destroyed above Ts ~ 500 K by a first-order-like transition.

cond-mat.other↗

arXiv2010

Phase stability and structural temperature dependence in sodium niobate: A high resolution powder neutron diffraction study

We report investigation of structural phase transitions in technologically important material sodium niobate as a function of temperature on heating over 300-1075 K. Our high resolution powder neutron diffraction data show variety of structural phase transitions ranging from non-polar antiferrodistortive to ferroelectric and antiferroelectric in nature. Discontinuous jump in lattice parameters is found only at 633 K that indicates that the transition of orthorhombic antiferroelectric P (space group Pbcm) to R (space group Pbnm) phase is first order in nature, while other successive phase transitions are of second order. New superlattice reflections appear at 680 K (R phase) and 770 K (S phase) that could be indexed using an intermediate long-period modulated orthorhombic structure whose lattice parameter along <001> direction is 3 and 6 times that of the CaTiO3-like Pbnm structure respectively. The correlation of superlattice reflections with the phonon instability is discussed. The critical exponent (β) for the second order tetragonal to cubic phase transition at 950 K, corresponds to a value β$\approx 1/3$, as obtained from the temperature variation of order parameters (tilt angle and intensity of superlattice reflections). It is argued that this exponent is due to a second order phase transition close to a tricritical point. Based on our detailed temperature dependent neutron diffraction studies, the phase diagram of sodium niobate is presented that resolves existing ambiguities in the literature.

cond-mat.mtrl-sci↗

arXiv2009

Evidence for strong effect of quenched correlated disorder on phase separation and magnetism in (La_{1-y}Pr_{y})_{0.7}Ca_{0.3}MnO_3

High resolution neutron diffraction shows that the mesoscopic separation into ferromagnetic (FM) and antiferromagnetic (AFM) phases and the FM transition temperature T_C in the perovskite manganite (La_{1-y}Pr_{y})_{0.7}Ca_{0.3}MnO_3 strongly depend on the quenched correlated disorder. The different disorder strengths are achieved by different procedures of the sample synthesis and quantitatively characterized by the micro-strain-type diffraction peak broadening. The system shifts to predominantly one phase state with smaller T_C as the correlated disorder strength is decreased supporting the viewpoint that the origin of phase separation in the indicated manganite system is the correlated quenched disorder. The ground state of an ultimately chemically homogeneous sample is FM-like containing about 20% of the AFM minority phase. This FM-like state can be readily transformed to the AFM-like one having <20% of FM-phase by the decreasing of the effective charge carrier bandwidth via oxygen isotope substitution.

cond-mat.str-el↗

arXiv2009

Evidence for large electric polarization from collinear magnetism in TmMnO3

There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are strongly coupled. It is now generally accepted that ferroelectricity in TbMnO3 is induced by magnetic long range order that breaks the symmetry of the crystal and creates a polar axis [2]. One remaining key question is whether magnetic order can induce ferroelectric polarization that is as large as that of technologically useful materials. We show that ferroelectricity in orthorhombic (o) TmMnO3 is induced by collinear magnetic order, and that the lower limit for its electric polarization is larger than in previously investigated orthorhombic heavy rare-earth manganites. The temperature dependence of the lattice constants provides fur- ther evidence of large spin-lattice coupling effects. Our experiments suggest that the ferroelectric polarization in the orthorhombic perovskites with commensurate magnetic ground states could pass the 1 microC/cm2 threshold, as suggested by theory [3, 4].

cond-mat.mtrl-sci↗

arXiv2007

Crystal and magnetic structures of the spin-trimer compounds Ca3 Cu3xNix (PO4)4 (x=0,1,2)

Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K. The composition with one Ni per trimer (x=1) has a monoclinic structure (space group P 21 /a, no. 14) with the unit cell parameters a = 17.71 A, b = 4.89 A, c = 8.85 A and = 123.84 deg at T=290 K. The (x=2) composition crystallizes in the C 2/c space group (no. 15) with the doubled unit cell along c-axis. Each trimer is formed by two crystallographic positions: one in the middle and the second one at the ends of the trimer. We have found that the middle position is occupied by the Cu2+, whereas the end positions are equally populated with the Cu2+ and Ni2+ for (x=1) while in the (x=2) the trimers were found to be of only one type Ni-Cu-Ni. Below TN = 20 K the (x=2) compound shows an antiferromagnetic ordering with propagation vector star {[1/2,1/2, 0], [-1/2,1/2, 0]} The magnetic structure is very well described with the irreducible representation tau22 using both arms of the star {k} with the magnetic moments 1.89(1) muB and 0.62(2) muB for Ni2+ and Cu2+ ions, respectively. We note that our powder diffraction data cannot be fitted by a model containing only one arm of the propagation vector star. The Cu/Ni-spins form both parallel and antiparallel configurations in the different trimers, implying substantial effect of the inter-trimer interaction on the overall magnetic structure.

cond-mat.mtrl-sci↗

arXiv2007

Effect of oxygen isotope substitution and crystal micro-structure on magnetic ordering and phase separation in {$\rm (La_{1-y}Pr_{y})_{0.7}Ca_{0.3}MnO_3$}

The crystal and magnetic structures of the specified CMR manganite system have been studied as a function of $y=(0.2-1)$ across the metal-insulator (MI) transition, and of the oxygen mass ($^{16}$O, $^{18}$O). We quantitatively show how the polaronic narrowing of the carrier bandwidth and the crystal lattice micro-strains control the volume fractions of the mesoscopic ferro- and antiferromagnetic clusters. A well-defined dip in the transition temperatures and the suppression of all the types of long range ordering seen near the MI-transition at $y\simeq0.9$ indicate a key role of the quenched disorder for the formation of the long-scale phase separated state.

cond-mat.str-el↗