@article {IOPORT.06108664, author = {Popov, A.M. and Shumkin, G.N.}, title = {Simulating resistance switching in amorphous carbon.}, year = {2012}, journal = {Moscow University Computational Mathematics and Cybernetics}, volume = {36}, number = {2}, issn = {0278-6419}, pages = {53-59}, publisher = {Pleiades Publishing (Allerton Press, Inc.), New York; Springer, New York}, doi = {10.3103/S0278641912020033}, abstract = {Summary: The resistance switching in amorphous carbon (a-C) is mathematically simulated on the basis of quantum molecular dynamics. The electric conductivity in thin a-C films is related to a phase transition due to an electric field and corresponding Joule heating and cooling. Simulations show that the transition mechanism is related to the clusterization of existing conducting regions of graphite ($sp^2$) in a nonconducting diamond ($sp^3$) matrix. Simulations yield the conditions for the phase transition in a-C from one state to another. Excited molecular orbitals and the energy gap at different temperatures are also calculated.}, identifier = {06108664}, }