Search arXiv⌕ Search

arXiv · cond-mat/0506634

Paramagnetism of layered organic conductors (BEDO-TTF)_2ReO_4*H_2O and (BEDT-TTF)_xDy(NO_3)_z: analysis of phase transition at 200 K

Abstract

Layered organic conductors (BEDO-TTF)_2ReO_4*H_2O (metal) and (BEDT-TTF)_xDy(NO_3)_z (paramagnetic insulator) are studied by CW-EPR and SQUID methods. A correlation in resonance and transport properties of both compounds is attributed to a similar mechanism of fine anion ordering (AO) at T_AO=200 K. Due to the hydrogen bonds motif the small configuration changes in anion sub-lattice bring a profound effect on electronic properties. It is shown that the spin system of (BEDO-TTF)_2ReO_4*H_2O consists of a fraction of delocalized pi-type holes (I_epr=n(e_F)), I_epr(300K)=1,62*10^(-4) emu/mol and antiferromagnetically correlated local moments S=1/2, chi_p(300K)=1,86*10^(-3) emu/mol. The phase transition Me-Me at T_AO=203 K is detected by paramagnetic relaxation and resisitivity but it is not observed in spin susceptibility. Fraction of delocalized holes gradually decreases by factor 2 at cooling down to 100 K, whereas contribution from local moments reaches maximum at 50 K and falls to zero at 14 K. However, at 2 K total spin susceptibility is fully recovered approaching 6*10^(-2) emu/mol. In turn, (BEDT-TTF)_xDy(NO_3)_z does not have solvent bridges (H_2O) between neighboring anions and the disorder in anion layer converts this compound into paramagnetic insulator. Moreover, the anion metal-complexes Dy(NO_3)_z^n(-) contain magnetic ions Dy^3(+). Nonetheless, the phase transition of similar origin is also detected at T=197 K by ESR and resistivity measurements. Two spin sub-systems co-exist in this compound: hopping local moments S=1/2 (BEDT-TTF^(+)), I_epr(300K)=6,3*10^(-4) emu/mol and strongly localized 4f^9-electrons, J=15/2 (Dy^3(+)), chi_p(300K)=4*10^(-2) emu/mol.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Yu. N. Shvachko, D. V. Starichenko, A. V. Korolyov, N. D. Kushch, E. B. Yagubskii. 2005-06-24. Paramagnetism of layered organic conductors (BEDO-TTF)_2ReO_4*H_2O and (BEDT-TTF)_xDy(NO_3)_z: analysis of phase transition at 200 K. https://arxiv.org/abs/cond-mat/0506634

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

KEEP EXPLORING

Related papers

Symmetry-induced magnetic fullerene

Defect-free, charge-neutral, pure-carbon materials are generally viewed as intrinsically non-magnetic. Here we challenge this view by establishing a fundamental principle of symmetry-induced magnetism in pure-carbon fullerene systems through molecular orbital theory. We show that high-order symmetry of fullerene molecules or their crystalline lattices induces degenerate energy levels and hence, quantised magnetic moments at half filling. This mechanism holds for all high-order symmetries. It suggests a plausible intrinsic origin for the previously debated magnetic fullerene. Additionally, recent experimental advances in the synthesis of monolayer fullerene networks provide a feasible platform to implement our prediction on the deep link between symmetry and magnetism in these systems. Our results create new, broad frontiers of quantum magnetism by introducing molecular or crystalline symmetries in any lattice.

cond-mat.mtrl-sci↗

Tritium for Nanoscale Hydrogen Analysis by Atom Probe Tomography

Accurate nanoscale detection of hydrogen is essential for understanding hydrogen-related phenomena in materials, yet conventional tracing with deuterium is often complicated by residual background hydrogen. This study evaluates tritium as a highly resolvable isotopic marker for nanoscale hydrogen analysis in metals using atom probe tomography. Titanium was selected for its ability to incorporate hydrogen isotopes, providing a suitable platform for tritium detection. Time of flight secondary ion mass spectrometry and electron backscatter diffraction were performed prior to tritium charging to characterize the initial composition and microstructure. Atom probe tomography in laser mode before and after tritium charging, at three post-charging time intervals, enables tracking of tritium incorporation over time. Thermal desorption analysis confirmed the presence of tritium and complemented the secondary ion mass spectrometry measurements, highlighting the role of the surface oxide layer in modulating tritium release. While tritium, deuterium, and protium differ in their diffusion and trapping behavior, the distinct mass signal associated with tritium provides a practical advantage for resolving hydrogen at very low concentrations. This work serves as a fundamental benchmarking study for leveraging tritium and atom probe tomography as a combined tool for understanding hydrogen in materials, relevant for interpreting local processes such as hydrogen embrittlement.

cond-mat.mtrl-sci↗

Interfacial melting as a thermodynamic indicator of solid-state synthesizability

Computational materials discovery commonly ranks candidate materials by their thermodynamic stability on the formation energy convex hull, yet many predicted-stable phases resist synthesis. We propose that solid-state synthesizability through interfacial-melt-mediated routes requires an additional thermodynamic condition: the interfacial melt at the target composition must itself remain locally stable against spinodal decomposition. We examine this in the classical Fe--B system, where thermodynamically stable FeB$_4$ has been reported under high-pressure synthesis but not in low-pressure synthesis attempts. Using melt--quench molecular dynamics driven by a fine-tuned machine-learning interatomic potential, we find that, at ambient pressure, the B-rich interfacial melt near the FeB$_4$ composition develops a concave free-energy landscape, signaling a demixing instability that is corroborated by the concentration--concentration structure factor and correlated with low-energy icosahedral and pentagonal-pyramidal boron motifs. In contrast to FeB$_4$, metastable Fe$_3$B and Fe$_{23}$B$_6$ remain synthesizable because their corresponding melts are stable. Applied pressure introduces a convex $PV$ contribution that strongly suppresses this instability, reducing the curvature at the FeB$_4$ composition to within the uncertainty of our fit at 1800~K, consistent with the experimental synthesis boundary. Comparison with CrB$_4$ further shows that weaker melt instability correlates with easier experimental synthesis. Interfacial-melt stability, which atomistic simulations can assess via the low-$k$ concentration--concentration structure factor, is thus proposed as a practical thermodynamic screening descriptor of synthesizability for AI-assisted materials discovery.

cond-mat.mtrl-sci↗