arXiv subjects

Thomas P. Sheerin

Publications and source records attributed to Thomas P. Sheerin.

3 recordsLinked to original sources

arXiv2026

Engineering correlated phases through manipulation of Van Hove singularities

Controlling the ordered phases of correlated electron systems remains a central challenge in quantum materials design. Divergences in the electronic density of states, known as Van Hove singularities (VHSs), are one obvious route to such control. It is clear from recent work that the exact functional form of these divergences can profoundly affect which phases are realized; a full picture, however, remains elusive. In this work, we use both the hot-spot parquet renormalization group and the truncated-unity functional renormalization group to theoretically study the emergent correlated states of a two-dimensional square-lattice Hubbard model with VHSs at or near the Fermi level. By varying a single hopping parameter, $t_3$, we are able to change the strength of the VHS divergence in the density of states from logarithmic (for $t_3 < t_{3c}$) to power-law (for $t_3 = t_{3c}$). Further increase of $t_3$ ($t_3 > t_{3c}$) causes each original Van Hove point to split into two, both of the conventional logarithmic type. We show that which of these regimes we are in strongly influences the predicted ordered states. We also study the dependence on doping, and find that the ferromagnetic state that occurs at Van Hove filling in these models is unstable to very small shifts in the Fermi level, often giving way to distinct ordered states depending on whether the model is electron- or hole-doped. These results highlight the importance of tuning VHS properties to control ordered states in correlated materials, and offer design rules to engineer these phases in novel systems.

cond-mat.str-el↗

arXiv2024

Non-Fermi liquid induced by U(1) gauge field interactions: a functional renormalization group analysis

We study the non-Fermi-liquid state formed by an isotropic, degenerate Fermi gas in two spatial dimensions interacting with a U(1) gauge field. Our calculation uses the functional renormalization group (fRG) with a soft frequency cutoff for the fermions. The fRG scheme we employ takes account of the gauge symmetry, which imposes relations (modified Ward-Takahashi identities) between the couplings which constrain the RG flow. The critical exponents and couplings we find for the resulting non-Fermi liquid are mostly insensitive to whether or not we enforce the gauge symmetry constraints, which signifies either that the constraints are superfluous or that the frequency-cutoff scheme is particularly robust. The exception is the gauge-boson mass term, which is RG-relevant about the fixed point without the constraints, but is irrelevant when they are enforced. The latter is physically accurate, as a gauge symmetry cannot be spontaneously broken. In addition, we find $z=2$ and $Σ(ω,k_F)\simω^{1/2}$ for the boson dynamical exponent and scaling of the fermion self-energy, respectively. These results differ considerably from those of past works on the model, though we argue for their plausibility.

cond-mat.str-el↗

arXiv2023

Electronic and optical properties of boron containing GaN alloys: The role boron atom clustering

Boron (B) containing III-nitride materials, such as wurtzite (B,Ga)N alloys, have recently attracted significant interest to tailor the electronic and optical properties of optoelectronic devices operating in the visible and ultraviolet spectral range. However, the growth of high quality samples is challenging and B atom clustering is often observed in (B,Ga)N alloys. To date, fundamental understanding of the impact of such clustering on electronic and optical properties of these alloys is sparse. In this work we employ density functional theory (DFT) in the framework of the meta generalized gradient approximation (modified Becke Johnson (mBJ) functional) to provide insight into this question. We use mBJ DFT calculations, benchmarked against state-of-the-art hybrid functional DFT, on (B,Ga)N alloys in the experimentally relevant B content range of up to 7.4%. Our results reveal that B atom clustering can lead to a strong reduction in the bandgap of such an alloy, in contrast to alloy configurations where B atoms are not forming clusters, thus not sharing nitrogen (N) atoms. We find that the reduction in bandgap is linked mainly to carrier localization effects in the valence band, which stem from local strain and polarization field effects. However, our study also reveals that the alloy microstructure of a B atom cluster plays an important role: B atom chains along the wurtzite c-axis impact the electronic structure far less strongly when compared to a chain formed within the c-plane. This effect is again linked to local polarization field effects and the orbital character of the involved valence states in wurtzite BN and GaN. Overall, our calculations show that controlling the alloy microstructure of (B,Ga)N alloys is of central importance when it comes to utilizing these systems in future optoelectronic devices with improved efficiencies.

cond-mat.mtrl-sci↗