Condensed Matter Seminar

Inorganic and Organic-Inorganic Semiconductors from Large-Scale Hybrid DFT

Abstract: Semiconductor materials play essential roles in a host of technologies including computation, photovoltaics, light emission, and spin transport. This talk focuses on first-principles simulations of the structure, stability and electronic properties of novel semiconductor materials, especially hybrid organic-inorganic perovskites and multinary chalcogenide materials.

Spatial and temporal dynamics of excitons in semiconducting van der Waals heterostructures

Abstract: Atomically thin van der Waals crystals like graphene and transition metal dichalcogenides allow for the creation of arbitrary, atomically precise heterostructures simply by stacking disparate monolayers without the constraints of covalent bonding or epitaxy. While these are commonly described as nanoscale LEGO blocks, many intriguing phenomena have been discovered in the recent past that go beyond this simple analogy.

Direct Electrical Access to the Spin Manifolds of Individual Monovalent Lanthanide Atoms

Abstract: Lanthanide atoms are promising ingredients for realizing single molecule magnets which remain magnetically stable at elevated temperatures. They are also being explored for their use in quantum information processing due to the relatively long relaxation times and phase coherence times of their magnetic 4f-electrons and nuclear spins. These useful properties arise in part due to the strong localization of their 4f electrons, which are shielded from the surrounding environment by their much larger valence 6s and 5d electrons.

Crystalline phases and devil's staircase in qubit spin ice

Abstract: Motivated by the recent realization of an artificial quantum spin ice in an array of superconducting qubits with tunable parameters, we scrutinize a quantum six-vertex model on the square lattice that distinguishes type-I and type-II vertices. We map the zero-temperature phase diagram using numerical and analytical methods. Following a symmetry classification, we identify three crystalline phases alongside a subextensive manifold of isolated configurations.

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