Simulating resistance switching in amorphous carbon

DOI10.3103/S0278641912020033zbMath1253.82033OpenAlexW2073061065MaRDI QIDQ1759144

Xianqiang Yang

Publication date: 20 November 2012

Published in: Moscow University Computational Mathematics and Cybernetics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.3103/s0278641912020033

zbMATH Keywords

fast Fourier transformKohn-Sham equationsquantum molecular dynamicsamorphous carbonconductivity switchingparallel Lanczos algorithmphase-transition materialresistance switchingzero Brillouin zone

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Phase transitions (general) in equilibrium statistical mechanics (82B26) Numerical methods for discrete and fast Fourier transforms (65T50) Parallel numerical computation (65Y05) Statistical mechanics of solids (82D20)

Uses Software

• CPMD

Cites Work

• Unnamed Item
• New advances in chemistry and materials science with CPMD and parallel computing

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