相关论文: Quantum size effects in Pb islands on Cu(111): Ele…

We analyze in detail the fluctuations and correlations of the (spatial) Fourier modes of nano-scale single-layer islands on (111) fcc crystal surfaces. We analytically show that the Fourier modes of the fluctuations couple due to the…

In the spirit of the thin-layer quantization scheme, we give the effective Hamiltonian describing the noninteracting electrons confined to an annular corrugated surface, and find that the geometrically induced potential is considerably…

We studied the structural and the electronic properties of small Mo clusters (n = 2 ~ 8) via projector augmented wave pseudopotential calculations using plane wave basis functions. Our results show that the 4s- and 4p-semicore states play…

Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…

Aim: To study turbulence in the Orion Molecular Cloud (OMC1) by comparing observed and simulated characteristics of the gas motions. Method: Using a dataset of vibrationally excited H2 emission in OMC1 containing radial velocity and…

Using dynamical-mean-field theory, we investigate the electronic properties of quantum wells consisting of a $t^1_{2g}$-electron system with strong correlations. The special focus is on the subband structure of such quantum wells. The…

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Formation of topological quantum phase on conventional semiconductor surface is of both scientific and technological interest. Here, we demonstrate epitaxial growth of 2D topological insulator, i.e. quantum spin Hall (QSH) state, on Si(111)…

Theory anticipates that the in-plane px, py orbitals in a honeycomb lattice lead to new and potentially useful quantum electronic phases. So far, p orbital bands were only realized for cold atoms in optical lattices and for light and…

We compute the nonlinear optical response of an Fe monolayer placed on top of 1 to 4 monolayers of Cu(001). Our calculation is based on ab initio eigenstates of the slab, which are obtained within the full-potential linearized augmented…

A theoretical many-body analysis is presented of the electron-electron inelastic lifetimes of Shockley electrons and holes at the (111) surface of Cu. For a description of the decay of Shockley states both below and above the Fermi level,…

In this work, we have applied the self-compressed stabilized jellium model to predict the equilibrium properties of isolated thin Al, Na, and Cs slabs. To make a direct correspondence to atomic slabs, we have considered only those $L$…

The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb…

PbSe, a predicted two-dimensional (2D) topological crystalline insulator (TCI) in the monolayer limit, possess excellent thermoelectric and infrared optical properties. Native defects in PbSe take a crucial role for the applications.…

Exotic electronic states are realized in novel quantum materials. This field is revolutionized by the topological classification of materials. Such compounds necessarily host unique states on their boundaries. Scanning tunneling microscopy…

Consistent with prior qualitative expectations for group IV-VI topological crystalline insulators, this work demonstrates, based on band structure and Chern number calculations, that Pb$_{1-x}$Sn$_x$Se/(PbSe)$_{1-y}$(EuS)$_y$ quantum wells…

The band gaps and spectral shifts of CdS, CdSe, CdTe, AlP, GaP, GaAs, and InP semiconductor clusters are calculated from band structure calculations using accurate local and non-local empirical pseudopotentials. The effect of spin-orbit…

Results for pseudogaps are obtained from a band model, where the stability of the gap depends on the amplitudes of vibrational displacements, or magnetic moments, and their coupling to electrons. A one-particle gap is favored by normal…

In the present work, we study nuclear structure properties of the $^{184-194}$Pb isotopes within the framework of the nuclear shell-model. We have performed shell-model calculations using KHH7B and KHHE interactions. We have reported…

The influence of Sb content, substrate type and cap layers on the quantum anomalous Hall effect observed in V-doped (Bi,Sb)$_2$Te$_3$ magnetic topological insulators is investigated. Thin layers showing excellent quantization are…