材料科学
The observation of anomalously large polarization rotations in pump-probe experiments with circularly polarized light has recently challenged the conventional understanding of the inverse Faraday effect. The striking magnitude of these…
A thorough understanding of the temperature dependence of semiconductor band gaps is essential for optimizing optoelectronic devices. In this respect, the origin of the pronounced temperature-induced gap bowing observed in low-temperature…
We use density-functional theory with a Hubbard correction to investigate Ti-centered electron polarons at neutral PbO-centered $180^\circ$ domain walls in tetragonal PbTiO$_{3}$. The Hubbard parameter for Ti $3d$ states is determined using…
Fast-responding trap states introduced by NO-annealing are suspected to limit the channel mobility of 4H-SiC MOSFETs, yet their microscopic characterization remains challenging because conventional electrical methods are spatially averaged…
Weexperimentally study the temperature dependence of the magnon-phonon coupling in a yttrium iron garnet (YIG)/gadolinium gallium garnet (GGG) heterostructure. More specifically, we use broadband ferromagnetic resonance to investigate the…
Explicit incorporation of magnetic degrees of freedom in machine-learning interatomic potentials (magnetic MLIPs) plays a crucial role in the correct description of magnetic materials and their properties. An important ingredient for…
Hybridization of highly itinerant Dirac electrons with localized flat-band states is predicted to yield emergent phenomena such as exotic heavy-fermion behaviour. Epitaxial graphene on two-dimensional adsorbate structures on SiC(0001),…
This study utilizes Density Functional Theory (DFT) to investigate the thermodynamic stability, elastic anisotropy, and electronic properties of C14 and C15 Laves phases within the Cr--Hf--Nb system. Both formation enthalpies and…
Continuum-buried defect states in semiconductors are generally expected to be optically inactive due to their strong coupling to continuum bands. Here, we show that such defects can instead host radiative electronic bound states in the…
Scaling wide-band-gap semiconductors to the ultrathin limit offers a transformative pathway for power electronics, with gallium nitride (GaN) representing a cornerstone material in this class. However, the operational resilience and…
Understanding coherent optical responses of topological surface states (TSSs) requires disentangling excitation pathways from the electronic band structure. Here, using angle-resolved two-photon photoemission spectroscopy, we identify two…
Inverse design of materials has significantly advanced target-driven formulation optimization, yet existing materials machine learning benchmarks remain limited to forward property prediction, failing to systematically evaluate inverse…
Operando microscopy has unveiled key mechanistic insights in battery materials during early cycling, but long-term characterization to unveil material evolution, degradation, and failure remain limited. To address this gap, we develop a…
Antimicrobial photodynamic therapy (aPDT) is a promising modality for inactivation of antibiotic resistant bacteria, relying on the activation of a photosensitizer (PS) by light of a specific wavelength. This process results in the…
While negative capacitance has been demonstrated in ferroelectric-dielectric heterostructures in the form of capacitance enhancement, all experimental evidence, to date, suggests the existence of domains therein. Here, we address the…
Twisted moire superlattices in van-der-Waals heterostructures provide a powerful platform for engineering correlated states through moire-band reconstruction. However, whether globally coherent electronic orders can be continuously…
The discovery of altermagnetism has shown that crystal symmetry can generate momentum-dependent internal polarization without net magnetization. Whether an analogous form of symmetry-organized momentum-space order can exist for spinless…
Phononic crystals enable precise manipulation of elastic wave propagation through engineered bandgaps; however, designing defect states within these bandgaps for frequency-selective applications remains a significant challenge. Existing…
Previous density functional theory (DFT) calculations for random solid solution (RSS) CoCrNi predict negative intrinsic stacking-fault energy (ISFE) at 0 K, contrary to experimental observations of finite stacking-fault widths. Two…
The development of radiation-tolerant materials capable of maintaining structural, electrical, and thermal stability in extreme, radiation-rich environments remains a critical challenge in materials science. In this work, the effects of 60…