Nickel disulfide, NiS₂, is an unusual material. Its interior behaves as an electrical insulator, blocking the flow of current, while certain parts of its surface conduct electricity freely. This contradiction has puzzled physicists for decades, and a recent study offers a detailed explanation. The conduction, it turns out, is confined to tiny one-dimensional steps on the surface, and these narrow conducting channels are a direct consequence of how electrons are arranged inside the crystal.

Mott insulator

NiS₂ shares its crystal structure with pyrite, the mineral sometimes called fool’s gold. At ordinary conditions, its electrons do not move freely through the lattice: the strong electrical repulsion between them opens an energy gap that keeps the bulk of the material insulating. This behaviour defines what physicists call a Mott, or charge-transfer, insulator, a category of materials that simple band theory cannot explain. Band theory predicts that any material with a partially filled outer electron shell should conduct electricity, yet compounds like nickel oxide obstinately insulate instead. In 1949, the physicist Nevill Mott showed why: if two electrons crowding the same atomic site cost more energy than is available, the electrons stay locked in place and no current flows, regardless of what band theory predicts. NiS₂ behaves in much the same way.

Yet electrical-transport measurements had repeatedly found that crystals of NiS₂ conduct through their surfaces. Earlier scanning-tunnelling experiments helped explain part of the puzzle: the broad, flat surface remains insulating, but the electronic gap narrows sharply near atomic-scale steps, tiny cliffs just one or two atoms high where the surface abruptly changes level. A new study ¹ confirms this picture and examines the steps with much higher spatial resolution than before.

A not that smooth surface

A scanning tunnelling microscope (STM) works by bringing an extremely sharp needle close enough to a surface that electrons can leak across the gap between tip and sample. Measuring that leakage at different energies reveals both the surface’s shape and how easily electrons can enter or leave it. In NiS₂, these measurements uncovered electronic states concentrated tightly along the step edges: the states extend for a long distance parallel to a step but stay confined to roughly one to two nanometres across it. In other words, the electrons are effectively free to move in one direction while remaining trapped in the other two, forming genuine one-dimensional conduction channels.

NiS₂

Surface spectra of the terminations observed in STM. Source: M. Iraola, H. Guo et al (2026) Nature Communications doi: 10.1038/s41467-026-76126-x

Two distinct kinds of surface step were observed, depending on whether the outermost atomic layer exposes nickel or sulfur atoms. Both carry electronic states associated with their steps, but they are not equally important. The nickel-terminated steps host states that sit right at the energy where electrical conduction happens, making them the most likely explanation for the surface conductivity that transport experiments had measured for years. The sulfur-terminated steps also host states inside the insulating gap, but their energy is positioned further away, making them less directly responsible for carrying current.

The study also tested what happens when a magnetic field is applied perpendicular to the surface. The step-edge states survived fields as strong as 10 tesla, a field far stronger than any produced by a laboratory magnet used for everyday purposes. Their intensity weakened somewhat, particularly on the sulfur-terminated steps, but the states were never destroyed. This robustness matters because NiS₂ already displays complicated magnetic behaviour of its own, which might easily have disrupted a more fragile conducting state.

The deeper explanation lies in how electrons are distributed inside the crystal. In an ordinary insulator, the occupied electronic states can usually be pictured as clouds centred on the atoms themselves. NiS₂ is different: calculations show that part of its electron density is naturally centred at special positions between atoms, specifically near the midpoints of pairs of sulfur atoms, where no atom actually sits. Physicists call these obstructed charge centres, and materials built around them belong to a class known as obstructed atomic insulators, a concept that grew out of a broader effort over the past decade to classify materials by the geometry, and not just the energy, of their electron states.

NiS₂

The concept of obstructed atomic insulator. In an OAI, the valence bands are induced from Wannier functions localized at obstructed Wannier charge centers (OWCCs)—symmetric positions in the crystal not occupied by any ion. Wannier functions are the localized molecular orbitals of crystalline systems. Source: M. Iraola, H. Guo et al (2026) Nature Communications doi: 10.1038/s41467-026-76126-x

Not ordinary metallic defects

This arrangement is not a chemical accident; it is protected by the symmetry of the crystal. When the crystal is cut to form a surface, though, the special positions that hosted this electron density can no longer fit together the way they did in the bulk. At a step edge, this mismatch creates what is known as a filling anomaly: an imbalance in how the available electronic states can be occupied, which leaves behind a state inside the insulating gap, localized right at the edge. Calculations of artificial step structures reproduce the main features seen under the microscope, including this localization, supporting the idea that the conducting channels are not ordinary metallic defects caused by broken chemical bonds, but a direct consequence of the crystal’s underlying electronic geometry.

The study also settles a long-standing question about NiS₂’s magnetism at low temperature. Below about 39 kelvin, the nickel magnetic moments arrange themselves into a non-collinear antiferromagnetic pattern, with neighbouring moments pointing in different directions that largely cancel out. Below about 30 kelvin, they rearrange again into a state that produces a small but measurable net magnetization. New neutron-diffraction measurements support a revised model of this low-temperature arrangement, resolving a debate about the material’s magnetic ground state that had lasted for roughly fifty years.

Taken together, the results give NiS₂ a significance well beyond its peculiar conducting surface. The material shows that strong repulsion between electrons, magnetism, and the geometry of electronic states can coexist within a single crystal. Such geometric protection is normally associated with topological materials, in which certain electronic states are shielded from disorder or defects by the crystal’s symmetry. The new results suggest that this protection can survive even when strong interactions push a material into being an insulator, making NiS₂ a rare setting for studying how the quantum-mechanical arrangement of electrons decides where electricity is allowed to flow within an otherwise insulating crystal.

Author: César Tomé López is a science writer and the editor of Mapping Ignorance

Disclaimer: Parts of this article may have been copied verbatim or almost verbatim from the referenced research paper/s.

References

Mikel Iraola, Haojie Guo, Fabio Orlandi, Sebastian Klemenz, Martina O. Soldini, Sandra Sajan, Pascal Manuel, Jeroen van den Brink, Titus Neupert, Miguel M. Ugeda, Leslie M. Schoop & Maia G. Vergniory (2026) One-dimensional conduction channels in the correlated Mott NiS2 arising from obstructed Wannier charges Nature Communications doi: 10.1038/s41467-026-76126-x ↩

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