English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

In this study, I have investigated the magnetic and critical properties ofmanganese pyrochlore fluoride NaSrMn$_{2}$F$_{7}$, which exhibits a glasstransition at T$_\text{f}$$=$2.5 (K) due to charge disorder. A DFT+$U$+SOCframework is used in this paper to derive spin-Hamiltonian terms, includingisotropic and anisotropic exchange interactions. An optimized geometry revealsa local distortion of the F-Mn-F angle along the $ < $111$ > $ direction(95.48$^{\circ}$ and 84.51$^{\circ}$), which is considered a weak bond disorder($\delta J$). In spite of the complex structure of this material, firstprinciple calculations show that its magnetic properties are only controlled bythe nearest neighbor's Heisenberg exchange interaction, and other interactionsdo not affect spin arrangements in the ground state. Thus, this material isconsidered a suitable candidate for studying electron correlation in spinglasses. Using a replica-exchange framework, Monte Carlo simulations indicatethat no phase transition is observed when magnetic susceptibility changes withtemperature. Based on $\delta J$ and the spin Hamiltonian, 2.6 (K) is obtainedas the phase transition temperature.

$\textit{Ab initio}$ description of magnetic properties of spin-glass pyrochlore NaSrMn$_{2}$F$_{7}$