Materials Sciences and Engineering Research Highlights

Adaptive variational quantum computing approaches for response function calculations

Accurate simulations of Green’s functions and nonlinear susceptibilities for electron and spin systems are achieved with highly compressed circuits.

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Synergistic integration of variational quantum eigensolver with a quantum subspace expansion

This research presents a viable candidate approach to perform ground state calculations on large-size systems beyond 100 qubits to achieve quantum utility before fault tolerance.

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Coherent Transfer of Lattice Entropy via Extreme Nonlinear Phononics in Metal Halide Perovskites

The phonon dynamics of methylammonium lead iodide are explored with time-resolved terahertz spectroscopy and first-principles molecular dynamics simulations, revealing a bidirectional entropy transfer mechanism that may inform the design of perovskite active layers in solar cells and optoelectronic devices.

a nonlinear entropy-transfer pathway driven by strong THz-pulse radiation

Origin of Charge Density Wave in SrAl4 and EuAl4

First-principles calculations successfully explain the presence and absence of charge density wave (CDW) across the topological semimetal series (Sr, Ba, Eu)Al4.

Ultrafast Chirality Switching in a Correlated CDW-Weyl Semimetal

Fluence-dependent photocurrents enable controlled transitions within (TaSe4)2I, shifting it sequentially from a polaronic state to a charge density wave (CDW) state, and ultimately to a concealed Weyl phase.

Tz emission data and polaron state illustration

Direct atomic manipulation of a buried graphene interface

Epitaxial graphene patterning platform is developed by using the scanning tunneling microscope (STM). A local electric field controls the covalent C-Si bonds at the buried graphene – SiC interface, allowing their reversible breaking and formation.

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Unconventional Superconductivity in Mineral Miassite Rh17S15

The mineral miassite, Rh17S15, is shown to be an unconventional superconductor with line nodes in the superconducting gap.

Chiral magnetic “particles” found in a kagome metal

Chiral excitations in the kagome layers of TbMn6Sn6, observed with inelastic neutron scattering (INS), behave like localized magnetic quasiparticles.

Surprising phase diagram of EuPd3S4 under pressure

Multiple, diverse high-pressure measurements were used to study the inhomogeneous mixed valence EuPd3S4. Under pressure, it exhibits an eight-fold increase of the Néel temperature followed by a structural transition to a lower symmetry structure that coincides with a transition to a fully non-magnetic state.

Metasurfaces for broadband quadratic phase

Ultra-thin metasurfaces with a specific multi-resonant response can enable simultaneously arbitrarily strong and arbitrarily broadband dispersion compensation, pulse (de)chirping, & compression or broadening with low loss.

Conventional dispersion and multi-resonant surfaces graphic.