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New insights into the microscopic origin of itinerant ferromagnetism were recently gained from investigations of electronic lattice models within dynamical mean-field theory (DMFT). In particular, it is now established that even in the…
The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…
Magnetic thin film heterostructures have been widely studied for fundamental interests in the emergence of novel phenomena accompanied by the heterointerface formation as well as their promising practical potential. Combining x-ray magnetic…
Engineering the dispersion relation is one of the key ingredients enabling the application of spin waves in computational elements. One way to engineer the spin-wave band structure is to create an artificial magnonic crystal, which can be…
Superconductivity in strongly correlated electron systems frequently exhibits broken rotational symmetry, raising fundamental questions about the underlying order parameter symmetry. In this work, we demonstrate that electronic…
Recent experimental studies of out-of-plane straining geometries of transition metal dichalchogenide (TMD) monolayers have demonstrated sufficient band gap renormalisation for device application such as single photon emitters. Here, a…
Quantum dot (QD) platforms have enabled the direct observation of Nagaoka ferromagnetism (NFM) in small arrays and non-infinite interaction strength. However, optimizing the cluster connectivity characteristics that yield a ground state…
Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear, computationally intensive, and can be difficult to interpret, while often only…
We study transport through interfaces in topological nodal-line semimetals, focusing on two geometries: a single interface between two large samples, one nodal-line semimetal and one metal, and an infinite nodal-line semimetal slab in…
Nodal-line semimetals (NLSMs) contains Dirac/Weyl type band-crossing nodes extending into shapes of line, loop and chain in the reciprocal space, leading to novel band topology and transport responses. Robust NLSMs against spin-orbit…
Electrons with large kinetic energy have a superconducting instability for infinitesimal attractive interactions. Quenching the kinetic energy and creating a flat band renders an infinitesimal repulsive interaction the relevant…
Materials with kagome lattice have attracted significant research attention due to their nontrivial features in energy bands. In this work, we theoretically investigate the evolution of electronic band structures of kagome lattice in…
Fracture toughness ($K_\mathrm{Ic}$) and fracture strength ($\sigma_\mathrm{f}$) are key criteria in the selection and design of reliable ceramics. However, their experimental characterization remains challenging -- especially for ceramic…
Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…
The presence of interfaces and grain boundaries significantly impacts the mechanical properties of materials, particularly when dealing with micro- or nano-scale samples. Distinct interactions between dislocations and grain boundaries can…
Recent theoretical work has predicted that dislocation patterning induces anisotropic flat bands in the electronic band diagram, which can lead to unusual effects such as unconventional superconductivity. This work develops a…
Topological semimetals have emerged as an important class of quantum materials with novel electronic responses and unconventional transport phenomena. Among them, nodal-line semimetals are distinguished by band crossings that extend along…
We wish to understand the macroscopic plastic behaviour of metals by upscaling the micro-mechanics of dislocations. We consider a highly simplified dislocation network, which allows our microscopic model to be a one dimensional particle…
Interlayer coupling in two-dimensional (2D) layered nanomaterials can provide us novel strategies to evoke their superior properties, such as the exotic flat bands and unconventional superconductivity of twisted layers, the formation of…
When modelling discontinuities (interfaces) using the finite element method, the standard approach is to use a conforming finite-element mesh in which the mesh matches the interfaces. However, this approach can prove cumbersome if the…