Structure and Dynamics of Materials

Materials derive their properties from the spatial arrangement of atoms, molecules or ions and from the collective motions that these building blocks undergo. At the smallest scale, crystallographic structure—whether periodic or amorphous—governs mechanical strength, thermal transport, electronic band structure and optical response. Beyond static order, dynamic processes such as lattice vibrations, electron–phonon coupling, collective excitations and defect migration mediate heat flow, charge mobility and phase transitions. Interfaces and surfaces introduce additional degrees of freedom, from two‐dimensional bonding networks in monolayer semiconductors to complex ionic reconstructions in thin films. Understanding how atomic‐scale structure sets the stage for correlated dynamics is essential for rational design of next‐generation alloys, low‐dimensional devices, energy‐harvesting systems and electrochemical architectures. This synthesis explores the current frontiers in linking structure to dynamics, highlighting landmark experimental and theoretical advances across multiple materials classes.

Research from Nature Portfolio

Recent experiments have revealed a novel interlayer plasmon polaron quasiparticle in graphene/WS₂ heterostructures. Micro‐focused angle‐resolved photoemission spectroscopy during in situ doping exposed density‐dependent shake‐off replicas of the WS₂ conduction band minimum, demonstrating strong coupling between conduction electrons and an interlayer plasmon mode that reshapes the quasiparticle dispersion. In ionic crystals, high‐resolution scanning tunnelling microscopy at cryogenic temperature has overturned the traditional picture of alkali‐halide band character. It was shown that the conduction band in ultrathin NaCl localises on halide rather than alkali sites owing to the Madelung potential, an anionic reversal that holds from monolayer to bulk. In transition‐metal dichalcogenides, a wafer‐scale topotactic conversion strategy has been developed to pattern superconducting NbSe₂ nanocircuits directly from predeposited metal precursors. The method preserves two‐dimensional superconductivity and enables architectures for single‐photon detection and complex nanowire geometries without degrading electronic coherence.

Structure and Dynamics of Materials publication trend

The graph below shows the total number of articles in structure and dynamics of materials across all publications each year (not limited to Nature Index journals).

Technical terms

Phonon: A quantised normal mode of lattice vibration that carries thermal energy.

Angle‐resolved photoemission spectroscopy (ARPES): A technique that measures the energy and momentum of photoemitted electrons to map electronic band structure.

Plasmon polaron: A quasiparticle arising from strong coupling between electronic states and collective plasmon excitations.

Topotactic conversion: A chemical transformation that preserves the overall crystal framework while converting one phase into another.

Time‐ and angle‐resolved photoemission spectroscopy (TR‐ARPES): An ultrafast variant of ARPES that tracks transient electronic states following optical excitation.

Madelung potential: The electrostatic potential at an ion site arising from all surrounding lattice charges.

Anharmonicity: Deviation from a purely harmonic interatomic potential, leading to phonon–phonon scattering and nonlinear frequency shifts.

References

1. Temperature Dependence of Raman-Active In-Plane E2g Phonons in Layered Graphene and h-BN Flakes. Discover Nano (2018).
2. Temperature-dependent phonon dynamics of supported and suspended monolayer tungsten diselenide. AIP Advances (2019).
3. Time- and angle-resolved photoemission spectroscopy (TR-ARPES) of TMDC monolayers and bilayers. Chemical Science (2023).
4. Observation of interlayer plasmon polaron in graphene/WS2 heterostructures. Nature Communications (2024).
5. Anionic character of the conduction band of sodium chloride. Nature Communications (2022).
6. Topotactic fabrication of transition metal dichalcogenide superconducting nanocircuits. Nature Communications (2023).