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7 papers · 1 filter
Large-scale electronic-structure theory and nanoscale defects formed in cleavage process of silicon
T. Hoshi, R. Takayama, Y. Iguchi +1
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of s…
Electronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with Density Functional Approach
Yoshiki Imai, Igor V. Solovyev, Masatoshi Imada
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band…
Linear Algebraic Calculation of Green's function for Large-Scale Electronic Structure Theory
R. Takayama, T. Hoshi, T. Sogabe +2
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an itera…
Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending
Takeo Hoshi, Yusuke Iguchi, Takeo Fujiwara
The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps sho…
Monte Carlo simulations of ferromagnetism in p-CdMnTe quantum wells
D. Kechrakos, N. Papanikolaou, K. N. Trohidou +1
Monte Carlo simulations, in which the Schrodinger equation is solved at each Monte Carlo sweep, are employed to assess the influence of magnetization fluctuations,short-range antif…
An Effective Reduction of Critical Current for Current-Induced Magnetization Switching by a Ru Layer Insertion in an Exchange-Biased Spin-Valve
Y. Jiang, S. Abe, T. Ochiai +4
Recently it has been predicted that a spin-polarized electrical current perpendicular-to-plane (CPP) directly flowing through a magnetic element can induce magnetization switching…