arXiv subjects

R. S. Dhaka

Publications and source records attributed to R. S. Dhaka.

At least 19 recordsLinked to original sources

arXiv2024

Observation of an unconventional giant negative exchange bias effect in La$_{0.5}$Sr$_{0.5}$Co$_{0.85}$Nb$_{0.15}$O$_3$

We find an unconventional giant negative exchange bias (EB) of $H_{\rm EB}$ = --14.1~kOe at 2~K (cooling field of 50~kOe) in the cluster spin-glass (CSG) La$_{0.5}$Sr$_{0.5}$Co$_{0.85}$Nb$_{0.15}$O$_3$ perovsikte cobaltites. The magnetic memory effect, aging measurements, and nonlineraity in specific heat capacity reveal the glassy magnetic state at low temperatures. Further, the detailed analysis of {\it ac-}magnetic susceptibility confirms the glassy state below $\sim$58~K and the obtained characteristic spin-relaxation time-scale of $τ_0$ = 8.4$\times$10$^{-10}$~s indicates the presence of CSG. Moreover, the analysis of magnetic training effect using the classical EB relaxation model reveals that the frozen spins relax slowly as compared to the rotatable spins at the interface of antiferromagnetic/ferromagnetic (AFM/FM) regions in CSG. Interestingly, the dependence of EB parameters is found to be unconventional for cooling field $>$50~kOe as the $H\rm_{EB}$ and $M\rm_{EB}$ show decreasing trend instead of expected saturation at higher fields. This unusual nature emerges due to large negative values of intrinsic interface exchange coupling ($J_i$), i.e., --10.24$\pm$0.22~meV and --12.55$\pm$0.49~meV for the measuring fields of $\pm$50~kOe and $\pm$90~kOe, respectively, whereas the number of spins in the FM cluster ($N_{\rm FM}$) are found to be small in the range of 2.4--3.1. These obtained values of $J_i $ and $N_{\rm FM}$ indicate the dominant AFM interactions and the presence of FM clusters in the AFM matrix, respectively, which correlate well with the observed unconventional behavior of giant negative exchange bias in the present sample.

cond-mat.str-el↗

arXiv2024

Antiferromagnetic ordering and glassy nature in NASICON type NaFe$_2$PO$_4$(SO$_4$)$_2$

We investigate crystal structure and magnetic properties including spin relaxation and magnetocaloric effect in NASICON type NaFe$_2$PO$_4$(SO$_4$)$_2$ sample. The Rietveld refinement of x-ray and neutron diffraction patterns show a rhombohedral crystal structure with the R$\bar{3}$c space group. The core-level spectra confirm the desired oxidation state of constituent elements. The {\it dc}--magnetic susceptibility ($χ$) behavior in zero field-cooled (ZFC) and field-cooled (FC) modes show the ordering temperature $\approx$50~K. Interestingly, the analysis of temperature dependent neutron diffraction patterns reveal an A-type antiferromagnetic (AFM) structure with the ordered moment of 3.8 $μ_{B}$/Fe$^{3+}$ at 5~K, and a magnetostriction below $T_{\rm N}=$ 50~K. Further, the peak position in the {\it ac}--$χ$ is found to be invariant with the excitation frequency supporting the notion of dominating AFM transition. Also, the unsaturated isothermal magnetization curve supports the AFM ordering of the moments; however, the observed coercivity suggests the presence of weak ferromagnetic (FM) correlations at 5~K. On the other hand, a clear bifurcation between ZFC and FC curves of {\it dc}--$χ$ and the observed decrease in peak height of {\it ac}--$χ$ with frequency suggest for the complex magnetic interactions. The spin relaxation behavior in thermo-remanent magnetization and aging measurements indicate the glassy states at 5~K. Moreover, the Arrott plots and magnetocaloric analysis reveal the AFM--FM interactions in the sample at lower temperatures.

cond-mat.str-el↗

arXiv2023

Correlation between the exchange bias effect and antisite disorders in Sr$_{2-x}$La$_x$CoNbO$_6$

We unravel the effect of La substitution and hence antisite disorders on the exchange bias (EB) mechanism in Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0, 0.2) double perovskite samples using the detailed analysis of the field cooled magnetization isotherms (M--H) and training effect. The field dependence of the freezing temperature deviates from both Gabay-Toulouse (GT) and de Almeida-Thouless (AT) lines and the analysis suggests that the $x=$ 0 sample follows a different universality class with moderate anisotropy in the frozen spins. Interestingly, we find that the EB effect is significantly suppressed in the $x=$ 0.2 sample due to increase [decrease] in the size of ferromagnetic (FM) [cluster glass (CG)] domain, which reduces the effective disordered interface responsible for the EB. The changes in fraction of FM, AFM, and CG like interactions with the La substitution and applied magnetic field are found to be crucial in governing the EB effect in these samples. Further, the training effect measurements show the unequal shift in the left and right branches of the M--H loops and their different evolution with the field cycles ($n$). The analysis reveals that the rotatable spins relax approximately one order of magnitude faster than the frozen spins at the disordered interface. We find a possible correlation between the observed EB effect and the antisite disorders in these samples.

cond-mat.str-el↗

arXiv2023

Complex magnetic interactions and critical behavior analysis in quaternary CoFeV$_{0.8}$Mn$_{0.2}$Si Heusler alloy

We investigate the magnetic behavior and critical exponents of quaternary CoFeV$_{0.8}$Mn$_{0.2}$Si Heusler alloy to understand the interactions across the Curie temperature ($T_{\rm C}$). The Rietveld refinement of the x-ray diffraction pattern with the space group F$\bar{4}$3m confirms a single-phase cubic Y-type crystal structure. The magnetic susceptibility $χ(T)$ data show a ferromagnetic nature with a second-order phase transition from paramagnetic to ferromagnetic at $446\pm1$~K. The saturation magnetization at 5~K is determined to be 2.2~$μ_B$/f.u., which found to be close to the Slater--Pauling rule and indicates its half-metallic nature. The values of asymptotic critical exponents ($β$, $γ$, and $δ$) and the $T_{\rm C}$ are extracted through detailed analytical analysis including the Modified Arrott plot, the Kouvel-Fisher (K--F) method, and the Widom scaling relation. Interestingly, the estimated values of $β$ = 0.369 and $γ$ = 1.445 closely approximate the theoretical values of the 3D Heisenberg model and second-order thermodynamic phase transition across the $T_{\rm C}$. The obtained exponents lead to the collapse of renormalized isotherms, represented by the relationship between the magnetization (m) and the applied magnetic field (h), into two distinct branches above and below the $T_{\rm C}$, which validates the reliability of the analysis. Furthermore, these exponents suggest that the spin interaction follows a decay pattern of $J(r) \sim r^{-4.99}$, indicating a short-range magnetic ordering, akin to the itinerant-electron 3D Heisenberg model.

cond-mat.mtrl-sci↗

arXiv2023

Unveiling the magnetic structure and phase transition of Cr$_2$CoAl using neutron diffraction

We report the detailed analysis of temperature dependent neutron diffraction pattern of the Cr$_2$CoAl inverse Heusler alloy and unveil the magnetic structure up to the phase transition as well as its fully compensated ferrimagnetic nature. The Rietveld refinement of the diffraction pattern using the space group I$\bar4${\it m}2 confirm the inverse tetragonal structure over the large temperature range from 100~K to 900~K. The refinement of the magnetic phase considering the wave vector $k=$ (0, 0, 0) reveals the ferrimagnetic nature of the sample below 730$\pm$5~K. This transition temperature is obtained from empirical power law fitting of the variation in the ordered net magnetic moment and intensity of (110) peak as a function of temperature. The spin configuration of the microscopic magnetic structure suggests the nearly fully compensated ferrimagnetic behavior where the magnetic moments of Cr2 are antiparallel with respect to the Cr1, and Co moments. Moreover, the observed anomaly in the thermal expansion and lattice parameters at 730$\pm$5~K suggest that the distortion in crystal structure may play an important role in the magnetic phase transition.

cond-mat.str-el↗

arXiv2023

Evolution of complex magnetic phases and metal-insulator transition through Nb substitution in La$_{0.5}$Sr$_{0.5}$Co$_{1-x}$Nb$_x$O$_3$

We report the evolution of structural, magnetic, transport, and electronic properties of bulk polycrystalline La$_{0.5}$Sr$_{0.5}$Co$_{1-x}$Nb$_x$O$_3$ ($x =$ 0.025--0.25) samples. The Rietveld refinement of the x-ray diffraction patterns with R$\bar3$c space group reveals that the lattice parameters and rhombohedral distortion monotonously increase with the Nb$^{5+}$(4$d^0$) substitution ($x$). The magnetic susceptibility exhibits a decrease in the magnetic ordering temperature and net magnetization with $x$, which manifests that the Nb substitution dilutes the ferromagnetic (FM) double exchange interaction and enhances the antiferromagnetic (AFM) super-exchange interaction. Interestingly, for the $x>$ 0.1 samples the FM order is completely suppressed and the emergence of a glassy state is clearly evident. Moreover, the decrease in the coercivity (H$\rm_{C}$) and remanence (M$\rm_{r}$) with $x$ in the magnetic isotherms measured at 5~K further confirms the dominance of AFM interactions and reduction of FM volume fraction for the $x>$ 0.1 samples. More interestingly, we observe resistivity minima for the $x=$ 0.025 and 0.05 samples, which are analyzed using the quantum corrections in the conductivity, and found that the weak localization effect dominates over the renormalized electron-electron interactions in the 3D limit. Further, a semiconducting resistivity behavior is obtained for $x>$ 0.05, which follows the Arrhenius law at high temperatures ($\sim$160--320~K), and the 3D-variable range hopping prevails in the low-temperature region ($<$160~K). The core-level photoemission spectra confirm the valence state of constituent elements and the absence of Co$^{2+}$ is discernible.

cond-mat.str-el↗

arXiv2022

Investigation of lattice dynamics, magnetism and electronic transport in $β$-Na$_{0.33}$V$_2$O$_{5}$

We investigate the electronic and magnetic properties as well as lattice dynamics and spin-phonon coupling of $β$-Na$_{0.33}$V$_2$O$_5$ using temperature-dependent Raman scattering, dc-magnetization and dc-resistivity, x-ray photoemission, and absorption spectroscopy. The Rietveld refinement of XRD pattern with space group C2/m confirms the monoclinic structure. The analysis of temperature-dependent Raman spectra in a temperature range of 13--673~K reveals an anharmonic dependence of the phonon frequency and full width at half maximum, which is accredited to the symmetric phonon decay. However, below about 40 K, the hardening of the phonon frequency beyond anharmonicity is attributed to the spin-phonon coupling. Interestingly, the estimated effective magnetic moment $μ_{\rm eff}=$ 0.63~$μ_B$ from the magnetization data manifests a mixed-valence state of V ions in 4+ (18$\pm$1\%) and 5+ (82$\pm$1\%). A similar ratio of V$^{4+}$ to V$^{5+}$ is also observed in the x-ray photoemission and x-ray absorption near-edge spectra and that is found to be consistent with the sample stoichiometry. In addition, the V$^{4+}$ ions are distributed between different vanadium (V1 and V3) sites. The analysis of extended x-ray absorption fine structure at different V-sites gives the corresponding V--O bond lengths, which are utilized in the assignment of Raman modes. Moreover, the temperature-dependent resistivity resembles a semiconducting behavior where the charge carrier transport is facilitated by the band conduction at higher temperatures and via hopping $\le$260~K.

cond-mat.mtrl-sci↗

arXiv2022

Probing the electronic and local structure of Sr$_{2-x}$La$_x$CoNbO$_6$ using near-edge and extended x-ray absorption fine structures

We report the electronic and local structural investigation of double pervoskites Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) using x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structures (EXAFS) at the Nb, Co, and Sr $K$-edges. The $ab$ $initio$ simulations and detailed analysis of the Nb and Co $K$-edge XANES spectra demonstrate that the observed pre-edge features arise from the transition of 1$s$ electrons to the mixed $p-d$ hybridized states. We reveal a $z$-out Jahn-Teller (JT) distortion in the CoO$_6$ octahedra, which decreases monotonically due to an enhancement in the JT inactive Co$^{2+}$ ions with $x$ . On the other hand, the $z$-in distortion in NbO$_6$ octahedra remains unaltered up to $x=$ 0.4 and then decreases with further increase in $x$. This sudden change in the local coordination around Nb atoms is found to be responsible for the evolution of the antiferromagnetic interactions in $x \geqslant$ 0.6 samples. Also, we establish a correlation between the degree of octahedral distortion and intensity of the white line feature in the XANES spectra and possible reason for this are discussed. More interestingly, we observe the signature of KN$_1$ double electron excitation in the Sr $K$-edge EXAFS spectra for all the samples, which is found to be in good agreement with the $Z$+1 approximation. Further, the Co L$_{2,3}$ edge shows the reduction in the crystal field strength and hence an increase in the charge transfer energy ($Δ_{ct}$) with the La substitution.

cond-mat.str-el↗

arXiv2022

Observation of anisotropic thermal expansion and Jahn-Teller effect in double perovskites Sr$_{2-x}$La$_x$CoNbO$_6$ using neutron diffraction

We use temperature dependent neutron powder diffraction (NPD) to investigate the structural changes and magnetic interactions in double perovskite Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0.4 and 0.6). A structural phase transition from tetragonal ($I4/m$) to monoclinic ($P2_1/n$) is observed between $x=$ 0.4 and 0.6 samples. Interestingly, temperature evolution of the unit cell parameters follow the Grüneisen approximation, and the analysis suggest the isotropic thermal expansion in case of the $x=$ 0.4 sample, whereas the $x=$ 0.6 sample shows the anisotropy where the thermal expansion along the $c$-axis significantly deviates from the Grüneisen function. We observe the $z$-out Jahn-Teller distortion in the CoO$_6$ and consequently $z$-in distortion in the adjacent NbO$_6$ octahedra. With increase in the La substitution, a decrease in the degree of octahedral distortion is evident from the significant reduction in the local distortion parameter $Δ$ around the B-site atoms.

cond-mat.str-el↗

arXiv2021

Unraveling diffusion kinetics of honeycomb structured Na$_2$Ni$_2$TeO$_6$ as a high-potential and stable electrode for sodium-ion batteries

In search of the potential cathode materials for sodium-ion batteries and to understand the diffusion kinetics, we report the detailed analysis of electrochemical investigation of honeycomb structured Na$_{2}$Ni$_{2}$TeO$_{6}$ material using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), galvanostatic charge-discharge (GCD) and galvanostatic intermittent titration technique (GITT). We found the discharge capacities of 82 and 77 mAhg$^{-1}$ at 0.05~C and 0.1~C current rates, respectively, and the mid-working potential of $\approx$3.9~V at 1~C and high capacity retention of 80\% after 500 cycles at 0.5~C as well as excellent rate capability. The analysis of CV data at different scan rates reveals the pseudo-capacitive mechanism of sodium-ion storage. Interestingly, the {\it in-situ} EIS measurements show a systematic change in the charge-transfer resistance at different charge/discharge stages as well as after different number of cycles. The diffusion coefficient extracted using CV, EIS and GITT lies mainly in the range of 10$^{-10}$ to 10$^{-12}$ cm$^{2}$s$^{-1}$ and the de-insertion/insertion of Na$^+$-ion concentration during electrochemical cycling is consistent with the ratio of Ni$^{3+}$/Ni$^{2+}$ valence state determined by photoemission study. Moreover, the post-cyclic results of retrieved active material show very stable structure and morphology even after various charge-discharge cycles. Our detailed electrochemical investigation and diffusion kinetics studies establish the material as a high working potential and long life electrode for sodium-ion batteries.

physics.chem-ph↗

arXiv2021

Electronic structure of $A$Co$_2$As$_2$ ($A=$ Ca, Sr, Ba, Eu) studied using angle-resolved photoemission spectroscopy and theoretical calculations

We present a comprehensive study of the low-energy band structure and Fermi surface (FS) topology of $A$Co$_2$As$_2$ ($A=$ Ca, Sr, Ba, Eu) using high-resolution angle-resolved photoemission spectroscopy. The experimental FS topology and band dispersion data are compared with theoretical full-potential linearized augmented-plane-wave (FP-LAPW) calculations, which yielded reasonably good agreement. We demonstrate that the FS maps of $A$Co$_2$As$_2$ are significantly different from those of the parent compounds of Fe-based high-temperature superconductors. Further, the FSs of CaCo$_2$As$_2$ do not show significant changes across its antiferromagnetic transition temperature. The band dispersions extracted in different momentum $(k_{\it x}, k_{\it y})$ directions show a small electron pocket at the center and a large electron pocket at the corner of the Brillouin zone (BZ). The absence of the hole FS in these compounds does not allow nesting between pockets at the Fermi energy ({\it E}$_{\rm F}$), which is in contrast to $A$Fe$_2$As$_2$-type parent compounds of the iron-based superconductors. Interestingly, we find that the hole bands are moved 300--400~meV below $E_{\rm F}$ depending on the $A$ element. Moreover, the existence of nearly flat bands in the vicinity of $E_{\rm F}$ are consistent with the large density of states at $E_{\rm F}$. These results are important to understand the physical properties as well as the possibility of the emergence of superconductivity in related materials.

cond-mat.supr-con↗

arXiv2021

Structural phase transition and its consequences on optical behavior of LaV$_{1-x}$Nb$_x$O$_4$

We present the structural, electronic, vibrational, and photoluminescence properties of polycrystalline LaV$_{1-x}$Nb$_x$O$_4$ ($x =$ 0--0.2) samples at room temperature. The substitution of Nb at the V site shows the fascinating structural and optical behavior due to their isoelectronic character and larger ionic radii of Nb$^{5+}$ as compared to the V$^{5+}$. The Rietveld refinement of x-ray diffraction patterns demonstrate that the $x=$ 0 sample exist in a monoclinic (P2$_1$/n) phase, whereas for the $x >$ 0, both monoclinic and scheelite-tetragonal (I4$_1$/a) phases co-exist in a certain proportion. Interestingly, a monotonous enhancement in the Raman spectral intensity with Nb substitution is correlated with the substitution induced increase in the scheelite-tetragonal phase. The x-ray absorption measurements reveal that the La ions exist in a trivalent oxidation state, while V and Nb cations possess 5+ oxidation state in tetrahedral coordination. Moreover, the Fourier-transform infrared (FTIR) spectra indicate that the Nb substitution give origin to some additional IR modes owing to the deformation of the VO$_4$$^{3-}$ tetrahedra and mixing of monoclinic and tetragonal phases. The photoluminescence measurements on these samples exhibit broadband spectra and their deconvolution designate the availability of more than one electron-hole pairs recombination center.

cond-mat.mtrl-sci↗

arXiv2021

X-ray Absorption Spectroscopy Study of La$_{1-y}$Sr$_{y}$Co$_{1-x}$Nb$_x$O$_3$

We use x-ray absorption spectroscopy to investigate the local structure and electronic properties of bulk La$_{1-y}$Sr$_{y}$Co$_{1-x}$Nb$_x$O$_3$ ($y=$ 2$x$ as LSCNO and $y=$ 0 as LCNO) samples. The x-ray absorption near-edge spectra (XANES) of LSCNO at Co K-edge affirm the valence state of Co in 3+. However, in the case of the LCNO, a subtle variation in the valence state of Co ions from 3+ to 2+ is evident with Nb substitution. The detailed analysis of the Fourier transform (FT) of the extended x-ray absorption fine structure (EXAFS) for the LSCNO samples exhibit the two groups of the bond-lengths owing to the Jahn-Teller (JT) distortion in the CoO$_6$ octahedra, which manifest that the Co$^{3+}$ ions exist in the intermediate spin-state (t$^5_{2g}$e$^1_g$) at room temperature. However, we find that the JT distortion is not present in LCNO samples for $x>$0.025 due to an increase in the high-spin Co$^{2+}$/Co$^{3+}$ ions accompanied by the Nb--induced structural transformation. Intriguingly, the La L$_3$-edge spectra for the LSCNO samples exhibit that the La ions exist in the trivalent state and the local disorder around La atoms decreases with Sr and Nb substitution. Interestingly, the simulated FT of the EXAFS spectra at the La L$_3$-edge demonstrates the three groups of La--O bond lengths, which exhibit a monotonous change with Sr and Nb substitution. Moreover, the XANES measured at Sr and Nb K-edges confirm their oxidation state to be in 2+ and 5+, respectively.

cond-mat.mtrl-sci↗

arXiv2020

Evidence of discrete energy states and cluster-glass behavior in Sr$_{2-x}$La$_x$CoNbO$_6$

We report the detailed analysis of specific heat [C$_{\rm P}$(T)] and ac-susceptibility for magnetically frustrated Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) double perovskites to understand low temperature complex magnetic interactions and their evolution with $x$. Interestingly, the observed Schottky anomaly in the $x\leqslant$ 0.4 samples shifts gradually towards higher temperature with magnetic field as well as $x$, and the analysis reveal the persistence of the discrete energy states in these samples resulting from the spin-orbit coupling and octahedral distortion. Moreover, the extracted values of Landé g--factor indicate the existence of high-spin state Co$^{3+}$ ions close to non-magnetic low-spin state. The specific heat data show the $λ$-type anomaly for the $x\geqslant$ 0.6 samples due to evolution of the long range antiferromagnetic ordering. Our analysis of low temperature C$_{\rm P}$(T) data for the $x\geqslant$ 0.6 samples demonstrate the 3D isotropic Heisenberg antiferromagnetic (AFM) interactions and the temperature induced second order AFM--paramagnetic phase transition. More interestingly, we demonstrate the presence of the free Co$^{2+}$ like Kramers doublet ground state in the $x =$1 sample. Further, the ac susceptibility and time evolution of the magnetization data reveal the low temperature cluster-glass like behavior in the $x=$ 0--0.4 samples, where spin-spin correlation strength decreases with $x$.

cond-mat.str-el↗

arXiv2020

Magneto-transport and Berry phase in magnetically doped Bi$_{0.97-x}$Sb$_{0.03}$ single crystals

We report large magnetoresistance (MR) and Shubnikov-de Haas (SdH) oscillations in single crystals of magnetically (M= Ni and Fe) doped M$_x$Bi$_{0.97-x}$Sb$_{0.03}$ ($x=$ 0, 0.02) topological insulators. The R$\bar{3}$m symmetry and phase have been confirmed by the Rietveld refinement of x-ray diffraction data. Interestingly, a magnetic field induced phase transition from semi-metallic to semi-conducting type is found with the energy gap around 80 meV at 15 Tesla in the $x=$ 0 sample. Moreover, we observe linear behavior of MR up to 15 Tesla in transverse mode and SdH oscillations in longitudinal mode where the field direction is with respect to the current and crystal plane. For the parent sample, we found the coherence length L$_ϕ=$ 12.7 nm through the fitting of MR data in transverse mode with modified H-L-N equation. The extracted frequencies of SdH oscillations using the fast Fourier transform method and Landau level (LL) fan diagram are found to be consistent for the parent and Ni doped samples. The determined Fermi surface area is found to be slightly larger in Ni doped as compared to the parent sample possibly due to change in the Fermi energy. The Kohler's plot indicates a single scattering mechanism below 100 K. More importantly, the analysis with the help of LL fan diagram reveals the non-zero Berry phase $ϕ_{\rm B}= -$(1$\pm$0.1)$π$, which demonstrates the non-trivial topological states near the Dirac point in the parent and Ni doped samples.

cond-mat.str-el↗

arXiv2020

Structural, transport, optical and electronic properties of Sr$_2$CoNbO$_6$ thin films

We study the effect of substrate induced strain on the structural, transport, optical and electronic properties of Sr$_2$CoNbO$_6$ double perovskite thin films. The reciprocal space mapping, $ϕ$-scan and high-resolution $θ$-2$θ$ scans of x-ray diffraction patterns suggest the epitaxial nature and high-quality of the films deposited on various single crystal ceramic substrates. A systematic enhancement in the dc electronic conductivity is observed with increase in the compressive strain, while a sharp reduction in case of tensile strain, which are further supported by change in the activation energy and density of states near the Fermi level. The optical band gap extracted from two distinct absorption bands, observed in the visible-near infrared spectroscopy show a non-monotonic behavior in case of compressive strain while significant enhancement with tensile strain. Unlike the bulk Sr$_2$CoNbO$_6$ (Co$^{3+}$ and Nb$^{5+}$), we observe different valence states of Co namely 2+, 3+ and 4+, and tetravalent Nb (4$d^1$) in the x-ray photoemission spectroscopy measurements. Moreover, a reduction in the average oxygen valency with the compressive strain due to enhancement in the covalent character of Co/Nb--O bond is evident. Interestingly, we observe sharp Raman active modes in these thin films, which indicates a significant enhancement in structural ordering as compared to the bulk.

cond-mat.mtrl-sci↗

arXiv2020

Structural and magnetic behavior of Cr$_2$Co$_{(1-x)}$Cr$_x$Al inverse Heusler alloys

We report the structural and magnetic behavior of single phase inverse Heusler alloys Cr$_2$Co$_{(1-x)}$Cr$_x$Al ($x = $ 0, 0.2, 0.4) using x-ray diffraction (XRD), Raman spectroscopy, isothermal magnetization, and magnetic susceptibility measurements. Interestingly, the Rietveld refinement of XRD data with the space group I$\bar{4}m2$ reveal a tetragonal distortion with c/a ratio around 1.38 in these inverse Heusler structures. The bulk compositions have been confirmed by energy dispersive x-ray spectroscopy measurements. The active Raman mode F$_{2g}$ is observed at 320~cm$^{-1}$, which confirms the X-type Heusler structure as the A2 and B2 type structures are known to be not Raman active. The area of F$_{2g}$ mode decreases with Cr concentration, which indicate the origin of this mode due to Co vibrations. The isothermal magnetization data confirm the magnetic moment close to zero ($\le$0.02 $μ_B/f.u.$) at $\approx$70~kOe and negligible coercive field suggest the fully compensated ferrimagnetic nature of these samples. The susceptibility behavior indicates irreversibility between zero-field and field-cooled curves and complex magnetic interactions at low temperatures.

cond-mat.mtrl-sci↗

arXiv2020

Exploring the possibility of enhancing the figure-of-merit ( $>$ 2) of Na$_{0.74}$CoO$_{2}$: A combined experimental and theoretical study

Search of new thermoelectric (TE) materials with high \textit{figure-of-merit} (ZT) is always inspired the researcher in TE field. Here, we present a combined experimental and theoretical study of TE properties of Na$_{0.74}$CoO$_{2}$ compound in high-temperature region. The experimental Seebeck coefficient (S) is found to vary from 64 to 118 $μ$V/K in the temperature range $300-620$ K. The positive values of S are indicating the dominating p-type behaviour of the compound. The observed value of thermal conductivity ($κ$) is $\sim$ 2.2 W/m-K at 300 K. In the temperature region $300-430$ K, the value of $κ$ increases up to $\sim$ 2.6 W/m-K and then decreases slowly till 620 K with the corresponding value of $\sim$ 2.4 W/m-K. We have also carried out the theoretical calculations and the best matching between experimental and calculated values of transport properties are observed in spin-polarized calculation within DFT+\textit{U} by chosen \textit{U} = 4 eV. The maximum calculated value of ZT is found to be $\sim$ 0.67 at 1200 K for p-type conduction. Our computational study suggests that the possibility of n-type behaviour of the compound which can lead to a large value of ZT at higher temperature region. Electron doping of $\sim$ 5.1$\times$10$^{20}$ cm$^{-3}$ is expected to give rise the high ZT value of $\sim$ 2.7 at 1200 K. Using these temperature-dependent ZT values, we have calculated the maximum possible values of efficiency ($η$) of thermoelectric generator (TEG) made by p and n-type Na$_{0.74}$CoO$_{2}$. The present study suggests that one can get the efficiency of a TE cell as high as $\sim$ 11$\%$ when the cold and hot end temperature are fixed at 300 K and 1200 K, respectively. Such high values of ZT and efficiency suggest that Na$_{0.74}$CoO$_{2}$ can be used as a potential candidate for high-temperature TE applications.

cond-mat.mtrl-sci↗