Simulating resistance switching in amorphous carbon

DOI10.3103/S0278641912020033MaRDI QIDQ1759144zbMATH OpenOpenAlexFDO

Authors 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

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

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Cites work

• scientific article; zbMATH DE number 5877442 (Why is no real title available?)
• New advances in chemistry and materials science with CPMD and parallel computing

Cited in

(2)

• Quantum simulation of structure switching in molecular system
• First principles simulation of phase transition in amorphous carbon

Describes a project that uses

Uses Software

• CPMD

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