arXiv subjects

C. M. N. Kumar

Publications and source records attributed to C. M. N. Kumar.

At least 19 recordsLinked to original sources

arXiv2024

Synchrotron x-ray diffraction and DFT study of non-centrosymmetric EuRhGe3 under high pressure

Antiferromagnetic intermetallic compound EuRhGe3 crystalizes in a non-centrosymmetric BaNiSn3-type (I4mm) structure. We studied its pressure-dependent crystal structure by using synchrotron powder x-ray diffraction at room temperature. Our results show a smooth contraction of the unit cell volume by applying pressure while preserving I4mm symmetry. No structural transition was observed up to 35 GPa. By the equation of state fitting analysis, the bulk modulus and its pressure derivative were determined to be 73 (1) GPa and 5.5 (2), respectively. Furthermore, similar to the isostructural EuCoGe3, an anisotropic compression of a and c lattice parameters was observed. Our experimental results show a good agreement with the pressure-dependent structural evolution expected from theoretical calculations below 13 GPa. Reflecting a strong deviation from integer Eu valence, the experimental volume data appear to be smaller than those of DFT calculated values at higher pressures.

cond-mat.mtrl-sci↗

arXiv2024

High-entropy magnetism of murunskite

Murunskite (K$_2$FeCu$_3$S$_4$) is a bridging compound between the only two known families of high-temperature superconductors. It is a semiconductor like the parent compounds of cuprates, yet isostructural to metallic iron-pnictides. Moreover, like both families, it has an antiferromagnetic (AF)-like response with an ordered phase occurring below $\approx$ 100 K. Through comprehensive neutron, Mössbauer, and XPS measurements on single crystals, we unveil AF with a nearly commensurate quarter-zone wave vector. Intriguingly, the only identifiable magnetic atoms, iron, are randomly distributed over one-quarter of available crystallographic sites in 2D planes, while the remaining sites are occupied by closed-shell copper. Notably, any interpretation in terms of a spin-density wave is challenging, in contrast to the metallic iron-pnictides where Fermi-surface nesting can occur. Our findings align with a disordered-alloy picture featuring magnetic interactions up to second neighbors. Moreover, in the paramagnetic state, iron ions are either in Fe$^{3+}$ or Fe$^{2+}$ oxidation states, associated with two distinct paramagnetic sites identified by Mössbauer spectroscopy. Upon decreasing the temperature below the appearance of magnetic interactions, these two signals merge completely into a third, implying an orbital transition. It completes the cascade of (local) transitions that transform iron atoms from fully orbitally and magnetically disordered to homogeneously ordered in inverse space, but still randomly distributed in real space.

cond-mat.str-el↗

arXiv2023

Characterization of two electronic subsystems in cuprates through optical conductivity

Understanding the physical properties of unconventional superconductors as well as of other correlated materials presents a formidable challenge. Their unusual evolution with doping, frequency, and temperature has frequently led to non-Fermi-liquid (non-FL) interpretations. Optical conductivity is a major challenge in this context. Here, the optical spectra of two archetypal cuprates, underdoped HgBa$_2$CuO$_{4+δ}$ and optimally-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$, are interpreted based on the standard Fermi liquid (FL) paradigm. At both dopings, perfect frequency-temperature FL scaling is found to be modified by the presence of a second, gapped electronic subsystem. This non-FL component emerges as a well-defined mid-infrared spectral feature after the FL contribution -- determined independently by transport -- is subtracted. Temperature, frequency, and doping evolution of the MIR feature identify a gapped rather than dissipative response. In contrast, the dissipative response is found to be relevant for pnictides and ruthenates. Such an unbiased FL/non-FL separation is extended across the cuprate phase diagram, capturing all the key features of the normal state and providing a natural explanation why the superfluid density is attenuated on the overdoped side. Thus, we obtain a unified interpretation of optical responses and transport measurements in all analyzed physical regimes and all analyzed compounds.

cond-mat.supr-con↗

arXiv2023

Pressure evolution of electronic and crystal structure of non-centrosymmetric EuCoGe$_3$

We report on the pressure evolution of the electronic and crystal structures of the noncentrosymmetric antiferromagnet EuCoGe3. Using a diamond anvil cell, we performed high pressure fluorescence detected near-edge x-ray absorption spectroscopy at the Eu L3, Co K, and Ge K edges and synchrotron powder x-ray diffraction. In the Eu L3 spectrum, both divalent and trivalent Eu peaks are observed from the lowest pressure measurement (~2 GPa). By increasing pressure, the relative intensity of the trivalent Eu peak increases, and an average Eu valence continuously increases from 2.2 at 2 GPa to 2.31 at~50 GPa. On the other hand, no discernible changes are observed in the Co K and Ge K spectra as a function of pressure. With the increase in pressure, lattice parameters continuously decrease without changing I4mm symmetry. Our study revealed a robust divalent Eu state and an unchanged crystal symmetry of EuCoGe3 against pressure.

cond-mat.str-el↗

arXiv2021

Complex interplay of magnetic ordering and spin-lattice coupling in orthochromite Nd$_{0.5}$Dy$_{0.5}$CrO$_{3}$

The mixed rare-earth orthochromite Nd$_{0.5}$Dy$_{0.5}$CrO$_{3}$ has a Néel temperature ($T_\mathrm{N}$) of ${\sim}$ 175\,K, resulting in the G-type antiferromagnetic ordering of Cr$^{3+}$ spins. The inverse susceptibility shows a deviation from Curie-Weiss law at 230\,K, with a large effective paramagnetic moment of 8.8\,$μ_{\mathrm{B}}$. The ZFC-FC magnetization bifurcate just above $T_\mathrm{N}$ and show a distinct signature of spin reorientation near 60\,K. Neutron diffraction show that below $T_\mathrm{N}$, the Cr$^{3+}$ spins align in $Γ_{2}$ representation as ($F_{x}$, $G_{z}$). Below 60\,K, due to spin reorientation, the magnetic structure is in $Γ_{1}$ ($G_{y}$) configuration. The neutron diffraction does not show any signature of rare-earth ordering even at 1.5\,K. First principles density functional theory calculations within GGA+U and GGA+U+SO approximations reveal that the G-type antiferromagnetic order is the ground state magnetic structure of Cr sublattice and the spin-reorientation of Cr$^{3+}$ spins can happen in the absence of 3d-4f interactions unlike in the case of orthoferrites. The specific heat shows a `$λ$' anomaly at $T_\mathrm{N}$, while at low temperature two distinct Schottky anomalies are observed; a Schottky peak at 2\,K and an additional step-like feature above 10\,K. Above $T_\mathrm{N}$, the magnetic transition is preceded by structural anomalies as seen in our x-ray diffraction and Raman measurements. The deviation of structural parameters near Néel temperature is smaller. The phonon frequencies show deviation from the standard anharmonic behaviour: first near 250\,K, due to magneto-volume effects while the second deviation occurs near 200\,K due to spin-phonon coupling.

cond-mat.str-el↗

arXiv2021

Coexisting magnetic structures and spin-reorientation in Er$_{0.5}$Dy$_{0.5}$FeO$_{3}$: Bulk magnetization, neutron scattering, specific heat, and \emph{Ab-initio} studies

The complex magnetic structures, spin-reorientation and associated exchange interactions have been investigate in Er$_{0.5}$Dy$_{0.5}$FeO$_3$ using bulk magnetization, neutron diffraction, specific heat measurements and density functional theory calculations. The Fe$^{3+}$ spins order as G-type antiferromagnet structure depicted by $Γ_{4}$($G_{x}$,$A_{y}$,$F_{z}$) irreducible representation below 700K, similar to its end compounds. The bulk magnetization data indicate occurrence of the spin-reorientation and rare-earth magnetic ordering below $\sim$75 K and 10 K, respectively. The neutron diffraction studies confirm an "incomplete" $Γ_{4}$${\rightarrow}$ $Γ_{2}$($F_{x}$,$C_{y}$,$G_{z}$) spin-reorientation initiated $\leq$75 K. Although, the relative volume fraction of the two magnetic structures varies with decreasing temperature, both co-exist even at 1.5 K. At 8 K, Er$^{3+}$/Dy$^{3+}$ moments order as $c_{y}^R$ arrangement develop, which gradually increases in intensity with decreasing temperature. At 2 K, magnetic structure associated with $c_{z}^R$ arrangement of Er$^{3+}$/Dy$^{3+}$ moments also appears. At 1.5 K the magnetic structure of Fe$^{3+}$ spins is represented by a combination of $Γ_{2}$+$Γ_{4}$+$Γ_{1}$, while the rare earth moments coexists as $c_{y}^R$ and $c_{z}^R$ corresponding to $Γ_{2}$ and $Γ_{1}$ representation, respectively. The observed Schottky anomaly at 2.5 K suggests that the "rare-earth ordering" is induced by polarization due to Fe$^{3+}$ spins. The Er$^{3+}$-Fe$^{3+}$ and Er$^{3+}$-Dy$^{3+}$ exchange interactions, obtained from first principle calculations, primarily cause the complicated spin-reorientation and $c_{y}^R$ rare-earth ordering, respectively, while the dipolar interactions between rare-earth moments, result in the $c_{z}^R$ type rare-earth ordering at 2 K.

cond-mat.str-el↗

arXiv2021

Arc-to-pocket transition and quantitative understanding of transport properties in cuprate superconductors

Despite immense efforts, the cuprate Fermi surface (FS) has been unambiguously determined in only two distinct, low-temperature regions of the phase diagram: a large hole-like FS at high doping, and a small electron-like pocket associated with charge-density-wave driven FS reconstruction at moderate doping. Moreover, there exists incomplete understanding of the reconstructed state, which is stabilized by high magnetic fields, and its connection with the normal state that consists of arc-like remnants of the large underlying FS. Part of the problem is that compound-specific idiosyncrasies, such as disorder effects and low structural symmetry, can obscure the fundamental properties of the quintessential CuO$_2$ planes. Here we present planar magnetotransport measurements for moderately-doped HgBa$_2$CuO$_{4+δ}$ that enable a quantitative understanding of the phase transition between the normal and reconstructed states and of the charge transport in the latter, and that demonstrate that the quasiparticle scattering rate in both states is due to Umklapp scattering. Building on prior insights, we furthermore arrive at a comprehensive understanding of the evolution of the planar transport properties throughout the entire cuprate phase diagram.

cond-mat.supr-con↗

arXiv2020

Successive spin reorientation and rare earth ordering in Nd$_{0.5}$Dy$_{0.5}$FeO$_{3}$: Experimental and $Ab$-$initio$ investigations

In present study, the magnetic structure and spin reorientation of mixed doped orthoferrite Nd$_{0.5}$Dy$_{0.5}$FeO$_3$ have been investigated. Similar to both parent compounds (NdFeO$_3$ and DyFeO$_3$), the magnetic structure of Fe$^{3+}$ belongs to $Γ_{4}$ irreducible representation (G$_{x}$, F$_{z}$) at room temperature. The experimental measurements confirmed the spin reorientation where magnetic structure of Fe$^{3+}$ changes from $Γ_{4}$ to $Γ_{2}$(F$_{x}$, G$_{z}$) between 75 and 20 \,K while maintaining G-type configuration. Such a gradual spin reorientation is unusual since the large single ion anisotropy of Dy$^{3+}$ ions causes an abrupt $Γ_{4}$${\rightarrow}$ $Γ_{1}$(G$_{y}$) spin reorientation in DyFeO$_3$. Between 20 and 10 \,K, the Fe$^{3+}$ magnetic structure is represented by $Γ_{2}$ (F$_{x}$, G$_{z}$). Unexpectedly, magnetic structure of Fe$^{3+}$ with $Γ_{4}$ representation re-emerges below 10\,K which also coincides with the development of rare-earth (Nd$^{3+}$/Dy$^{3+}$) magnetic ordering having C$_{y}$ configuration with magnetic moment of 1.8 $μ_{B}$. The absence of any signature of second order phase transition in the specific heat confirms the role of $R$(Nd$^{3+}$/Dy$^{3+}$)-Fe$^{3+}$ exchange interaction in the observed "rare-earth ordering" unlike DyFeO$_3$ where Dy$^{3+}$ ordering takes place independently to the magnetic ordering of Fe$^{3+}$ magnetic structure. Our (DFT+U+SO) calculations show that the C-type arrangement of rare-earth ions (Nd$^{3+}$/Dy$^{3+}$) with $Γ_{2}$ configuration for Fe$^{3+}$ moments is the ground state whereas $Γ_{4}$ phase is energetically very close. Nd-Fe and Nd-Dy exchange interactions, estimated from DFT, are observed to have significant roles in the rare earth ordering and Fe spin reorientation corroborating our experimental results.

cond-mat.str-el↗

arXiv2019

Non-collinear magnetic structure and anisotropic magnetoelastic coupling in cobalt pyrovanadate Co2V2O7

The Co2V2O7 is recently reported to exhibit amazing magnetic field-induced magnetization plateaus and ferroelectricity, but its magnetic ground state remains ambiguous due to its structural complexity. Magnetometry measurements, and time-of-flight neutron powder diffraction (NPD) have been employed to study the structural and magnetic properties of Co2V2O7, which consists of two non-equivalent Co sites. Upon cooling below the Neél temperature TN = 6.3 K, we observe magnetic Bragg peaks at 2K in NPD which indicated the formation of long range magnetic order of Co2+ moments. After symmetry analysis and magnetic structure refinement, we demonstrate that Co2V2O7 possesses a complicated non-collinear magnetic ground state with Co moments mainly located in b-c plane and forming a non-collinear spin-chain-like structure along the c-axis. The ab initio calculations demonstrate that the non-collinear magnetic structure is more stable than various ferromagnetic states at low temperature. The non-collinear magnetic structure with canted up-up-down-down spin configuration is considered as the origin of magnetoelectric coupling in Co2V2O7 because the inequivalent exchange striction induced by the spin-exchange interaction between the neighboring spins is the driving force of ferroelectricity. Besides, it is found that the deviation of lattice parameters a and b is opposite below TN, while the lattice parameter c and stay almost constant below TN, evidencing the anisotropic magnetoelastic coupling in Co2V2O7.

cond-mat.str-el↗

arXiv2019

Contrasting the magnetism in La$_{2-x}$Sr$_x$FeCoO$_6$ ($x$ = 0, 1, 2) double perovskites: the role of electronic and cationic disorder

The magnetism of the double perovskite compounds \SLFCOx\ ($x$ = 0, 1, 2) are contrasted using magnetization, neutron diffraction and electron paramagnetic resonance with the support from density functional theory calculations. \LFCO\ is identified as a long-range ordered antiferromagnet displaying a near-room temperature transition at $T_N$ = 270~K, accompanied by a low temperature structural phase transition at $T_S$ = 200~K. The structural phase transformation at $T_S$ occurs from $R\overline{3}c$ at 300~K to $Pnma$ at 200~K. The density functional theory calculations support an insulating non-compensated AFM structure. The long-range ordered magnetism of \LFCO\ transforms to short-range glassy magnetism as La is replaced with Sr in the other two compounds. The magnetism of \LFCO\ is differentiated from the non-equilibrium glassy features of \SFCO\ and \SLFCO\ using the {\em cooling-and-heating-in-unequal-fields} (CHUF) magnetization protocols. This contransting magnetism in the \SLFCOx\ series is evidenced in electron paramegnetic resonance studies. The electronic density-of-states estimated using the density functional theory calculations contrast the insulating feature of \LFCO\ from the metallic nature of \SFCO. From the present suite of experimental and computational results on \SLFCOx, it emerges that the electronic degrees of freedom, along with antisite disorder, play an important role in controlling the magnetism observed in double perovskites.

cond-mat.str-el↗

arXiv2017

Pr-magnetism in the quasi-skutterudite compound PrFe$_2$Al$_8$

The intermetallic compound \PFA\ that possesses a three-dimensional network structure of Al polyhedra centered at the transition metal element Fe and the rare earth Pr is investigated through neutron powder diffraction and inelastic neutron scattering in order to elucidate the magnetic ground state of Pr and Fe and the crystal field effects of Pr. Our neutron diffraction study confirms long-range magnetic order of Pr below $T_N $ = 4.5~K in this compound. Subsequent magnetic structure estimation reveals a magnetic propagation vector $k$ = ($\frac{1}{2}$~0~$\frac{1}{2}$) with a magnetic moment value of 2.5~$μ_\mathrm{B}$/Pr along the orthorhombic $c$-axis and evidence the lack of ordering in the Fe sublattice. The inelastic neutron scattering study reveals one crystalline electric field excitation near 19~meV at 5~K in \PFA. The energy-integrated intensity of the 19~meV excitation as a function of |$Q$| $(A^{-1})$ follows the square of the magnetic form factor of Pr$^{3+}$ thereby confirming that the inelastic excitation belongs to the Pr sublattice. The second sum rule applied to the dynamic structure factor indicates only 1.6(2)~$μ_\mathrm{B}$ evolving at the 19~meV peak compared to the 3.58~$μ_\mathrm{B}$ for free Pr$^{3+}$, indicating that the crystal field ground state is magnetic and the missing moment is associated with the resolution limited quasi-elastic line. The magnetic order occurring in Pr in \PFA\ is counter-intuitive to the symmetry-allowed crystal field level scheme, hence, is suggestive of exchange-mediated mechanisms of ordering stemming from the magnetic ground state of the crystal field levels.

cond-mat.str-el↗

arXiv2016

Ferromagnetism and the Effect of Free Charge Carriers on Electric Polarization in Y_2NiMnO_6 Double Perovskite

The double perovskite Y_2NiMnO_6 displays ferromagnetic transition at Tc = 81 K. The ferromagnetic order at low temperature is confirmed by the saturation value of magnetization (M_s) and also, validated by the refined ordered magnetic moment values extracted from neutron powder diffraction data at 10 K. This way, the dominant Mn4+ and Ni2+ cationic ordering is confirmed. The cation-ordered P 21/n nuclear structure is revealed by neutron powder diffraction studies at 300 and 10 K. Analysis of frequency dependent dielectric constant and equivalent circuit analysis of impedance data takes into account the bulk contribution to total dielectric constant. This reveals an anomaly which coincides with the ferromagnetic transition temperature (T_c). Pyrocurrent measurements register a current flow with onset near Tc and a peak at 57 K that shifts with temperature ramp rate. The extrinsic nature of the observed pyrocurrent is established by employing a special protocol measurement. It is realized that the origin is due to re-orientation of electric dipoles created by the free charge carriers and not by spontaneous electric polarization at variance with recently reported magnetism-driven ferroelectricity in this material

cond-mat.str-el↗

arXiv2016

Spin-Wave and Electromagnon Dispersions in Multiferroic MnWO4 as Observed by Neutron Spectroscopy: Isotropic Heisenberg Exchange versus Anisotropic Dzyaloshinskii-Moriya Interaction

High resolution inelastic neutron scattering reveals that the elementary magnetic excitations in multiferroic MnWO4 consist of low energy dispersive electromagnons in addition to the well-known spin-wave excitations. The latter can well be modeled by a Heisenberg Hamiltonian with magnetic exchange coupling extending to the 12th nearest neighbor. They exhibit a spin-wave gap of 0.61(1) meV. Two electromagnon branches appear at lower energies of 0.07(1) meV and 0.45(1) meV at the zone center. They reflect the dynamic magnetoelectric coupling and persist in both, the collinear magnetic and paraelectric AF1 phase, and the spin spiral ferroelectric AF2 phase. These excitations are associated with the Dzyaloshinskii-Moriya exchange interaction, which is significant due to the rather large spin-orbit coupling.

cond-mat.str-el↗

arXiv2016

Structure and magnetic properties of {\it Ln}MnSbO ({\it Ln} = La and Ce) and CeMnAsO

Neutron powder diffraction (NPD) study of \textit{Ln}MnSbO (\textit{Ln }$=$ La or Ce) reveals differences between the magnetic ground state of the two compounds due to the strong Ce-Mn coupling compared to La-Mn. The two compounds adopt the \textit{P4/nmm} space group down to 2 K and whereas magnetization measurements do not show obvious anomaly at high temperatures, NPD reveals a C-type antiferromagnetic (AFM) order below $T_{\mathrm{N}} = 255 $ K for LaMnSbO and 240 K for CeMnSbO. While the magnetic structure of LaMnSbO is preserved to base temperature, a sharp transition at $T_{\mathrm{SR}} = 4.5 $K is observed in CeMnSbO due to a spin-reorientation (SR) transition of the Mn$^{\mathrm{2+}}$ magnetic moments from pointing along the $c$-axis to the \textit{ab}-plane. The SR transition in CeMnSbO is accompanied by a simultaneous long-range AFM ordering of the Ce moments which indicates that the Mn SR transition is driven by the Ce-Mn coupling. The ordered moments are found to be somewhat smaller than those expected for Mn$^{\mathrm{2+}}$ ($S = 5/2$) in insulators, but large enough to suggest that these compounds belong to the class of local-moment antiferromagnets. The lower $T_{\mathrm{N\thinspace }}$ found in these two compounds compared to the As-based counterparts ($T_{\mathrm{N}} = 317$ for LaMnAsO, $T_{\mathrm{N}} = 347$ K for CeMnAsO) indicates that the Mn-$Pn$ ($Pn=$ As or Sb) hybridization that mediates the superexchange Mn-$Pn$-Mn coupling is weaker for the Sb-based compounds.

cond-mat.str-el↗

arXiv2016

Magnetic structures and magnetic phase transitions in the Mn-doped orthoferrite TbFeO$_3$ studied by neutron powder diffraction

The magnetic structures and the magnetic phase transitions in the Mn-doped orthoferrite TbFeO$_3$ studied using neutron powder diffraction are reported. Magnetic phase transitions are identified at $T^\mathrm{Fe/Mn}_N \approx$ 295~K where a paramagnetic-to-antiferromagnetic transition occurs in the Fe/Mn sublattice, $T^\mathrm{Fe/Mn}_{SR} \approx$ 26~K where a spin-reorientation transition occurs in the Fe/Mn sublattice and $T^\mathrm{R}_N \approx$ 2~K where Tb-ordering starts to manifest. At 295~K, the magnetic structure of the Fe/Mn sublattice in TbFe$_{0.5}$Mn$_{0.5}$O$_3$ belongs to the irreducible representation $Γ_4$ ($G_xA_yF_z$ or $Pb'n'm$). A mixed-domain structure of ($Γ_1 + Γ_4$) is found at 250~K which remains stable down to the spin re-orientation transition at $T^\mathrm{Fe/Mn}_{SR}\approx$ 26~K. Below 26~K and above 250~K, the majority phase ($> 80\%$) is that of $Γ_4$. Below 10~K the high-temperature phase $Γ_4$ remains stable till 2~K. At 2~K, Tb develops a magnetic moment value of 0.6(2)~$μ_\mathrm{B}/$f.u. and orders long-range in $F_z$ compatible with the $Γ_4$ representation. Our study confirms the magnetic phase transitions reported already in a single crystal of TbFe$_{0.5}$Mn$_{0.5}$O$_3$ and, in addition, reveals the presence of mixed magnetic domains. The ratio of these magnetic domains as a function of temperature is estimated from Rietveld refinement of neutron diffraction data. Indications of short-range magnetic correlations are present in the low-$Q$ region of the neutron diffraction patterns at $T < T^\mathrm{Fe/Mn}_{SR}$. These results should motivate further experimental work devoted to measure electric polarization and magnetocapacitance of TbFe$_{0.5}$Mn$_{0.5}$O$_3$.

cond-mat.str-el↗

arXiv2015

Spin-Lattice Coupling and Frustrated Magnetism in Fe-doped Hexagonal LuMnO3

Strong spin-lattice coupling and prominent frustration effects observed in the 50$\%$ Fe-doped frustrated hexagonal ($h$)LuMnO$_3$ are reported. A Néel transition at $T_{\mathrm N} \approx$ 112~K and a possible spin re-orientation transition at $T_{\mathrm {SR}} \approx$ 55~K are observed in the magnetization data. From neutron powder diffraction data, the nuclear structure at and below 300~K was refined in polar $P6_3cm$ space group. While the magnetic structure of LuMnO$_3$ belongs to the $Γ_4$ ($P6'_3c'm$) representation, that of LuFe$_{0.5}$Mn$_{0.5}$O$_3$ belongs to $Γ_1$ ($P6_3cm$) which is supported by the strong intensity for the $\mathbf{(100)}$ reflection and also judging by the presence of spin-lattice coupling. The refined atomic positions for Lu and Mn/Fe indicate significant atomic displacements at $T_{\mathrm N}$ and $T_{\mathrm {SR}}$ which confirms strong spin-lattice coupling. Our results complement the discovery of room temperature multiferroicity in thin films of $h$LuFeO$_3$ and would give impetus to study LuFe$_{1-x}$Mn$_x$O$_3$ systems as potential multiferroics where electric polarization is linked to giant atomic displacements.

cond-mat.str-el↗

arXiv2015

Crystal structure, incommensurate magnetic order and ferroelectricity in mn$_{1-x}$cu$_{x}$wo${_4}$ (x=0-0.19)

We have carried out a systematic study on the effect of Cu doping on nuclear, magnetic, and dielectric properties in Mn$_{1-x}$Cu$_{x}$WO$_4$ for ${0}\leq{x}\leq{0.19}$ by a synergic use of different techniques, viz, heat capacity, magnetization, dielectric, and neutron powder diffraction measurements. Via heat capacity and magnetization measurements we show that with increasing Cu concentration magnetic frustration decreases, which leads to the stabilization of commensurate magnetic ordering. This was further verified by temperature-dependent unit cell volume changes derived from neutron diffraction measurements which was modeled by the Grüneisen approximation. Dielectric measurements show a low temperature phase transition below about 9-10 K. Further more, magnetic refinements reveal no changes below this transition indicating a possible spin-flop transition which is unique to the Cu doped system. From these combined studies we have constructed a magnetoelectric phase diagram of this compound.

cond-mat.str-el↗

arXiv2015

Anomalous temperature-induced volume contraction in GeTe

The recent surge of interest in phase change materials GeTe, Ge$_2$Sb$_2$Te$_5$, and related compounds motivated us to revisit the structural phase transition in GeTe in more details than was done before. Rhombohedral-to-cubic ferroelectric phase transition in GeTe has been studied by high resolution neutron powder diffraction on a spallation neutron source. We determined the temperature dependence of the structural parameters in a wide temperature range extending from 309 to 973 K. Results of our studies clearly show an anomalous volume contraction of 0.6\% at the phase transition from the rhombohedral to cubic phase. In order to better understand the phase transition and the associated anomalous volume decrease in GeTe we have performed phonon calculations based on the density functional theory. Results of the present investigations are also discussed with respect to the experimental data obtained for single crystals of GeTe.

cond-mat.mtrl-sci↗