ar X iv : c on d - m at / 9 51 10 21 v 1 3 N ov 1 99 5 Calculation of electronic properties of amorphous alloys
نویسندگان
چکیده
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024 nodes and 2 compute processors per node. The electron density at each site is determined by solving the multiple scattering equation for atoms within a specified distance of the atom under consideration. Because this method is carried out in real space it is ideal for treating amorphous alloys. We have adapted the code to the calculation of the electronic properties of amorphous alloys. In these calculations we determine the potentials in the atomic sphere approximation self consistently at each site, unlike previous calculations[2] where we determined the potentials self consistently at an average site. With these self-consistent potentials, we then calculate electronic properties of various amorphous alloy systems. We present calculated total electronic densities of states for amorphous Ni 80 P 20 and Ni 40 Pd 40 P 20 with 300 atoms in a supercell.
منابع مشابه
ar X iv : c on d - m at / 9 51 10 67 v 1 1 4 N ov 1 99 5 Excitonic Phase Transition in Electronic Systems
Although predicted theoretically excitonic phase transitions have never been observed. Recently it has been claimed that they can occur in some strongly correlated materials. We study the possibility of an excitonic transition in a two-band model and show that a true phase transition never occurs in the presence of hybridization. We suggest an
متن کاملar X iv : c on d - m at / 9 51 10 29 v 2 1 3 N ov 1 99 5 Spin gap in CaV 4 O 9 : a large S approach Marc
We study the stability of the 4-site plaquette order in a model recently introduced by Katoh and Imada to explain the spin gap observed in CaV4O9. We show that all relevant types of order (4-site plaquette, dimerized, Néel) can be described within the framework of Schwinger boson mean field theory, and we make predictions regarding their relative stability. The results are compared to exact dia...
متن کاملar X iv : g r - qc / 9 51 10 48 v 1 1 6 N ov 1 99 5 Two lectures on Two - Dimensional Gravity ∗
متن کامل
ar X iv : c on d - m at / 9 51 10 87 v 2 1 8 N ov 1 99 5 The incoherent part of the spin - wave polarization operator in the t - J model
A calculation of the spin-wave polarization operator is very important for the analysis of the magnetic structure of high temperature superconductors. We analyze the significance of the incoherent part of the spin-wave polarization operator within the framework of the t-J model. This part is calculated analytically for small doping with logarithmic accuracy. We conclude that the incoherent part...
متن کاملar X iv : c on d - m at / 9 61 11 80 v 1 2 3 N ov 1 99 6 Internal Forces and the Magnetoconductivity of a Nondegenerate 2 D Electron Fluid
X iv :c on dm at /9 61 11 80 v1 2 3 N ov 1 99 6 Internal Forces and the Magnetoconductivity of a Nondegenerate 2D Electron Fluid P. Fozooni, P.J. Richardson, and M.J. Lea Department of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX, England M.I. Dykman and C. Fang-Yen[*] (a) Department of Physics and Astronomy, Michigan State University, MI 48824 (b) Department of Physics...
متن کامل