Related papers: Bootstrap kernel for organic low dimensional syste…
This paper develops bootstrap methods for practical statistical inference in panel data quantile regression models with fixed effects. We consider random-weighted bootstrap resampling and formally establish its validity for asymptotic…
Quantum sensors based on electronic spins have emerged as powerful probes of microwave-frequency fields. Among other solid-state platforms, spins in molecular crystals offer a range of advantages, from high spin density to functionalization…
The electronic conductance of graphene-based bilayer flake systems reveal different quantum interference effects, such as Fabry-P\'erot resonances and sharp Fano antiresonances on account of competing electronic paths through the device.…
The electronic structure of the unoccupied and occupied states of potassium (K)-doped and undoped picene crystalline films has been investigated by using the element-selective and bulk-sensitive photon-detection methods of X-ray absorption…
We show how coupling to an Einstein phonon $\omega_E$ affects the absorption peaks seen in the optical conductivity of graphene under a magnetic field $B$. The energies and widths of the various lines are shifted, and additional peaks arise…
We investigate how the training curve of isotropic kernel methods depends on the symmetry of the task to be learned, in several settings. (i) We consider a regression task, where the target function is a Gaussian random field that depends…
Phosphorene is a new two-dimensional material composed of a single or few atomic layers of black phosphorus. Phosphorene has both an intrinsic tunable direct band gap and high carrier mobility values, which make it suitable for a large…
Linear carbon-based materials such as polyyne and cumulene oligomers provide a versatile platform for nano-physics and engineering. Direct gap quasi-1D polyyne structures are promising for the observation of strong and unusual excitonic…
Controllable topological phase transitions are appealing as they allow for tunable single particle electronic properties. Here, by using state-of-the-art manybody perturbation theory techniques, we show that the topological $Z_2$ phase…
Kernel-based learning methods can dramatically increase the storage capacity of Hopfield networks, yet the dynamical mechanisms behind this enhancement remain poorly understood. We address this gap by combining a geometric characterization…
The fission of singlet excitons into triplet pairs in organic materials holds great technological promise, but the rational application of this phenomenon is hampered by a lack of understanding of its complex photophysics. Here, we use the…
We investigate the vibrational properties of Pt- and Pd-phthalocyanine (PtPc and PdPc) molecules on Ag(111) with high resolution electron energy loss spectroscopy (HREELS). In the monolayer regime, both molecules exhibit long range order.…
We describe the volume dependence of matrix elements of local fields to all orders in inverse powers of the volume (i.e. only neglecting contributions that decay exponentially with volume). Using the scaling Lee-Yang model and the Ising…
We have performed first-principles calculations to study optical absorption spectra of doped graphene with many-electron effects included. Both self-energy corrections and electron-hole interactions are reduced due to the enhanced screening…
At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is…
In space applications, space charge inside dielectric materials can lead to unwanted phenomena such as breakdown and electrostatic discharge. To prevent such incidents, the pulsed electroacoustic (PEA) device is employed to measure the…
Photonic space time crystals (PSTCs) are emerging materials characterized by periodic variations in electromagnetic parameters with respect to both space and time. To date, research on PSTCs remains theoretical, with no practical…
We present density functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces are reported as examples. We point out several issues…
Exciton formation leads to J-bands in solid pentacene. Describing these exciton bands represents a challenge for both time-dependent (TD) density-functional theory (DFT) and for its semiempirical analogue, namely for TD density-functional…
Rotational misalignment or twisting of two mono-layers of graphene strongly influences its electronic properties. Structurally, twisting leads to large periodic supercell structures, which in turn can support intriguing strongly correlated…