Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2504.05858

Structural and Electrical Transport Properties of NASICON type Na$_{3}$Zr$_{2-x}$Ti$_{x}$Si$_2$PO$_{\rm 12}$ ($x=$ 0.1-0.4) Solid Electrolyte Materials

Ramcharan Meena·Rajendra S. Dhaka
View original source ↗Read source document ↗Export metadata ↓

Abstract

We report the structural, resistivity, impedance, and dielectric studies of isovalent substituted Na$_{3}$Zr$_{2-x}$Ti$_{x}$Si$_2$PO$_{\rm 12}$ ($x=$ 0.1--0.4) NASICON type solid electrolyte materials. The Rietveld refinement of XRD patterns shows the monoclinic phase with space group of C 2/c for all the samples. The resistivity analysis shows the Arrhenius-type thermal conduction with an increase in activation energy with doping is explained based on decreased unit cell volume. We use Maxwell-Wagner-Sillars (MWS) relaxation and space charge or interfacial polarization models to explain the frequency and temperature-dependent variations of electric permittivity. The double relaxation peaks in the dielectric loss data show the two types of relaxation mechanisms of different activation energy. The real ($ε^{'}$) and imaginary ($ε^{''}$) parts of permittivity are fitted using the modified Cole-Cole equation, including the conductivity term, which show the non-Debye type relaxation over the measured frequency and temperature range. The impedance analysis shows the contributions from grain and grain boundary relaxation. The fitting performed using the impedance and constant-phase element (CPE) confirm the non-Debye type relaxation. Moreover, the electric modulus analysis confirms the ionic nature having thermally activated relaxation and the modulus scaling analysis shows a similar type of relaxation in the measured temperature range. The modified power law is used to understand the frequency dependence of {\it a.c.} conductivity data. The temperature dependence of exponent ($s$) in modified power law suggests the change in the conduction mechanism from near small polaron tunneling (NSPT) to correlated barrier hopping (CBH) above room temperature. The larger values of $ε$$_{r}$ indicate these materials as a potential candidate for charge-storage devices.

Explore related subjects

cond-mat.mtrl-sci

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Ramcharan Meena, Rajendra S. Dhaka. 2025-04-08. Structural and Electrical Transport Properties of NASICON type Na$_{3}$Zr$_{2-x}$Ti$_{x}$Si$_2$PO$_{\rm 12}$ ($x=$ 0.1-0.4) Solid Electrolyte Materials. https://arxiv.org/abs/2504.05858

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci↗
arXiv2026

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci↗
arXiv2026

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci↗