相关论文: Optical and magnetic excitations of metal-encapsul…
We present a density-functional (DF) study of structures of Si cage clusters that encapsulate metal atoms. As a prototypical example, the case of WSi$_{n}$ clusters is shown. To obtain the low-energy clusters in efficient and unbiased ways,…
Optical properties of the weakly helimagnetic metal MnSi have been determined in the photon energy range from 2 meV to 4.5 eV using the combination of grazing incidence reflectance at 80 degrees (2 meV to 0.8 eV) and ellipsometry (0.8 to…
Using both time-dependent density functional theory (TDDFT) and the ``single-shot" $GW$ plus Bethe-Salpeter equation ($GW$-BSE) approach, we compute optical band gaps and optical absorption spectra from first principles for eight common…
Polarization-resolved optical spectra of magnesia-supported gold clusters Au$_N$/MgO (N=1,2,4,8), bound at a surface color center $F_s$ of the MgO(100) face, are calculated from the time-dependent density functional theory. The optical…
The class of transition metal compounds shows an enormous richness of physical properties, such as metal-insulator transitions, colossal magneto-resistance, super-conductivity, magneto-optics and spin-depend transport. It now becomes more…
Upgraded metallurgical grade (UMG) silicon (Si) has raised interest as an alternative material for solar cells due to its low cost, low environmental impact and low CAPEX. Maximum cell efficiencies at the level of those obtained from high…
We predict the strong enhancement in the photoabsorption of small Mg clusters in the region of 4-5 eV due to the resonant excitation of the plasmon oscillations of cluster electrons. The photoabsorption spectra for neutral Mg clusters…
We report temperature and density dependences of the spin susceptibility of strongly interacting electrons in Si inversion layers. We measured (i) the itinerant electron susceptibility $\chi^*$ from the Shubnikov-de Haas oscillations in…
Single dopings of Mn and Fe in Si are investigated using 8-, 64-, and 216-atom supercells and a first-principles method based on density functional theory. Between the two transition metal elements (TMEs), atom sizes play an essential role…
In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mg$_{n}$ (n=2--5), corresponding to valence transitions. Geometry optimization of…
We study magnitudes and temperature dependences of the electron-electron and electron-phonon interaction times which play the dominant role in the formation and relaxation of photon induced hotspot in two dimensional amorphous WSi films.…
This study explores atomic and molecular adsorption on a number of early transition-metal carbides (TMC's) by means of density-functional theory calculations. Trend studies are conducted with respect to both period and group in the periodic…
We report simultaneous measurements of the magnetization and the ac susceptibility across the magnetic phase diagram of single-crystal MnSi. In our study we explore the importance of the excitation frequency, excitation amplitude, sample…
Magnetic phase diagram of NiS2-xSex has been reexamined by systematic studies of electrical resistivity, uniform magnetic susceptibility and neutron diffraction using single crystals grown by a chemical transport method. The electrical…
The optical absorption spectra of cyclo[n]carbons (n=10, 14, 18) are investigated in the framework of time-dependent density functional theory. The collective plasmon excitations well develop as the increases of the ring size and the…
We have found that the conduction in Si-MOS structures has a substantial imaginary component in the metallic phase for the density range 6 \times n_c > n > n_c, where n_c is the critical density of the metal-insulator transition. For high…
By analyzing the temperature ($T$) and density ($n$) dependence of the measured conductivity ($\sigma$) of 2D electrons in the low density ($\sim10^{11}$cm$^{-2}$) and temperature (0.02 - 10 K) regime of high-mobility (1.0 and 1.5 $\times…
Recent progress in experimental techniques has made it possible to extract detailed information on dynamics of carriers in a correlated electron material from its optical conductivity, $\sigma(\Omega, T)$. This review consists of three…
The optical absorption spectrum of the three most stable isomers of the Ag11 system was calculated using the time-dependent density functional theory, with the generalized gradient approximation for the exchange and correlation potential,…
The temperature and magnetic field dependence of lattice and carrier excitations in MnSi is studied in detail using inelastic light scattering. The pure symmetry components of the electronic response are derived from the polarization…