Related papers: First Principles Study of Bismuth Films on the Nic…
Using first-principles calculations, we systematically study the dissociation of O$_2$ molecules on different ultrathin Pb(111) films. Based on our previous work revealing the molecular adsorption precursor states for O$_2$, we further…
We show that thin dielectric films can be used to enhance the performance of passive atomic mirrors by enabling quantum reflection probabilities of over 90% for atoms incident at velocities ~1 mm/s, achieved in recent experiments. This…
We measured geometric and magnetic properties of Co films on the Pd(111) surface by x-ray photoelectron diffraction (XPD), x-ray magnetic circular dichroism (MCD) at the Co L_{2,3} edge, and the surface magneto-optical Kerr effect (SMOKE)…
Quantum properties of a helimagnetic thin film of simple cubic lattice with Heisenberg spin model are studied using the Green's function method. We find that the spin configuration across the film is strongly non uniform. Using the exactly…
We study adsorption sites of a single Xe adatom on Nb(110) surface using a density functional theory approach: The on-top site is the most favorable position for the adsorption. We compare the binding features of the present study to…
Insulating hexagonal boron nitride (hBN) films with precisely controlled thickness are ideal dielectric components to modulate various interfaces in electronic devices. To achieve this, high-quality hBN with controlled atomic configurations…
The electrical resistivity of conventional metals, such as copper, is known to increase in thin films due to electron-surface scattering, limiting the performance of metals in nanoscale electronics. Here, we find an unusual reduction of…
We report on the structural and electronic properties of a single bismuth layer intercalated underneath a graphene layer grown on an Ir(111) single crystal. Scanning tunneling microscopy (STM) reveals a hexagonal surface structure and a…
Bulk Bi2Te3 is known to be a topological insulator. We investigate surface states of Bi2Te3(111) thin films using density-functional theory including spin-orbit coupling. We construct a method to unambiguously identify surface states of…
Based on first-principles FLAPW-GGA calculations, we have investigated the electronic structure of newly synthesized novel superconductors LaONiBi and LaOCuBi, the first bismuth-containing compounds from the family of quaternary…
Controlling the interface between W and CoFeB-based buffer or capping layers at an appropriate temperature is essential for modifying the strength of magnetic anisotropy. In this work, we systematically explore the impact of W buffer and…
Large, high-quality layers of hexagonal boron nitride (hBN) are a prerequisite for further advancement in scientific investigation and technological utilization of this exceptional 2D material. Here we address this demand by investigating…
Qubits made from superconducting materials are a mature platform for quantum information science application such as quantum computing. However, materials-based losses are now a limiting factor in reaching the coherence times needed for…
Honeycomb bismuthene structures on Ag(111) were investigated using low-energy electron diffraction (LEED) and density functional theory. LEED I(V) analysis revealed that 0.5 monolayer (ML) of Bi forms an ultraflat honeycomb lattice with…
A comparison between properties of bismuth thin films deposited at substrate temperatures of 296 K (room temperature) and 77 K (quench condensed) is studied across epitaxial, amorphous, and van der Waals substrates. The experiments…
We investigated the electronic structure of multiferroic hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films using both optical spectroscopy and first-principles calculations. Using artificially stabilized hexagonal RMnO3, we extended the…
Enhancing light-matter coupling in two-dimensional (2D) semiconductors such as transition metal dichalcogenide monolayers remains a central challenge in nanophotonics due to their atomic thickness, which limits their interaction volume with…
We describe both pi-conjugated polymers and semiconducting single-walled carbon nanotubes because of the remarkable similarities in their behavior under photoexcitation. The common themes between these two seemingly different classes of…
Recent magnetic measurements on tetra-nickel molecular magnets [Ni(hmp)(ROH)Cl]$_4$, where R=CH$_3$, CH$_2$CH$_3$, or (CH$_2$)$_2$C(CH$_3$)$_3$ and hmp$^-$ is the monoanion of 2-hydroxymethylpyridine, revealed a strong exchange bias prior…
Transport characteristics of single crystal bismuth films on Si(111)-7 \times 7 are found to be metallic or insulating at temperature below or above TC, respectively. The transition temperature TC decreases as the film thickness increases.…