Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · cond-mat/0602520

Low energy electronic states in spheroidal fullerenes

M. Pudlak·R. Pincak·V. A. Osipov
View original source ↗Read source document ↗Export metadata ↓

Abstract

The field-theory model is proposed to study the electronic states near the Fermi energy in spheroidal fullerenes. The low energy electronic wavefunctions obey a two-dimensional Dirac equation on a spheroid with two kinds of gauge fluxes taken into account. The first one is so-called K spin flux which describes the exchange of two different Dirac spinors in the presence of a conical singularity. The second flux (included in a form of the Dirac monopole field) is a variant of the effective field approximation for elastic flow due to twelve disclination defects through the surface of a spheroid. We consider the case of a slightly elliptically deformed sphere which allows us to apply the perturbation scheme. It is shown exactly how a small deformation of spherical fullerenes provokes an appearance of fine structure in the electronic energy spectrum as compared to the spherical case. In particular, two quasi-zero modes in addition to the true zero mode are predicted to emerge in spheroidal fullerenes. An additional 'hyperfine' splitting of the levels (except the quasi-zero-mode states) is found.

Explore related subjects

cond-mat.mtrl-scicond-mat.other

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

M. Pudlak, R. Pincak, V. A. Osipov. 2006-06-26. Low energy electronic states in spheroidal fullerenes. https://doi.org/10.1103/physrevb.74.235435

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

KEEP EXPLORING

Related papers

arXiv2026

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↗
arXiv2026

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↗
arXiv2026

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↗