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The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…
We observed surface X-ray diffraction from He-4 submonolayers adsorbed on a single-surface graphite using synchrotron X-rays. Time evolutions of scattering intensities along the crystal truncation rod (CTR) were observed even after reaching…
By large-scale quantum Monte Carlo simulations we show that grain boundaries in Helium-4 crystals are generically superfluid at low temperature, with a transition temperature of the order of ~0.5K at the melting pressure; insulating grain…
Helium, the second most abundant element in the universe, exhibits an extremely large electronic band gap of about $20$ eV at low pressures ($\le 0.1$ GPa). While the metallization pressure of hcp helium has been accurately predicted, thus…
The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following a low barrier (~ 0.8 eV) activated process. A possible…
Superconductivity of a micron-sized hydride sample measured between metal probes under extreme pressure could be considered as a macroscopic quantum tunnelling phenomenon through metal-hydride-metal. The energy barrier height of hydride is…
The temperature-dependent diffusion coefficients of interstitial helium atom in $\alpha$-Ti are predicted using the transition state theory. The microscopic parameters in the pre-factor and activation energy of the impurity diffusion…
We report on the etching of graphene devices with a helium ion beam, including in situ electrical measurement during lithography. The etching process can be used to nanostructure and electrically isolate different regions in a graphene…
Graphene is of great scientific interest due to a variety of unique properties such as ballistic transport, spin selectivity, the quantum hall effect, and other quantum properties. Nanopatterning and atomic scale modifications of graphene…
Surface scattering of neutral helium beams created by supersonic expansion is an established technique for measuring structural and dynamical properties of surfaces on the atomic scale. Helium beams have also been used in Fraunhofer and…
A consistent quantum mechanical calculation of partial cross-sections leading to different final states of antiprotonic helium atom was performed. For the four-body scattering wave function, corresponding to the initial state, as well as…
Transits in the H I 1216 A (Lyman alpha), O I 1334 A, C II 1335 A, and Si III 1206.5 A lines constrain the properties of the upper atmosphere of HD209458b. In addition to probing the temperature and density profiles in the thermosphere,…
We have run a new suite of simulations that solve hydrodynamics and radiative transfer simultaneously to study helium II reionization. Our suite of simulations employs various models for populating quasars inside of dark matter halos, which…
We study the geometric phase of an open two-level quantum system under the influence of a squeezed, thermal environment for both non-dissipative as well as dissipative system-environment interactions. In the non-dissipative case, squeezing…
Graphene enables precise carrier-density control via gating, making it an ideal platform for studying electronic interactions. However, sample inhomogeneities often limit access to the low-density regimes where these interactions dominate.…
Selective ion transport is a hallmark of biological ion channel behavior but is a major challenge to engineer into artificial membranes. Here, we demonstrate, with all-atom molecular dynamics simulations, that bare graphene nanopores yield…
Hydrodynamic outflows, such as those observed escaping close-in gas giant planets, are not isothermal in structure. Their highly ionized nature allows them to cool adiabatically at distances beyond several planetary radii. The contrast…
The Quantum Twisting Microscope (QTM) is a groundbreaking instrument that enables energy- and momentum-resolved measurements of quantum phases via tunneling spectroscopy across twistable van der Waals heterostructures. In this work, we…
The penetration of atomic hydrogen through defect-free graphene was generally predicted to have a barrier of at least several eV, which is much higher than the 1 eV barrier measured for hydrogen-gas permeation through pristine graphene…
Graphene, in addition to its unique electronic and optical properties, revealed unusually high thermal conductivity. The fact that thermal conductivity of large enough graphene sheets should be higher than that of basal planes of bulk…