Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian
نویسندگان
چکیده
Takeshi Nishimatsu,1,2 Umesh V. Waghmare,3 Yoshiyuki Kawazoe,2 and David Vanderbilt1 1Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Road, Piscataway, New Jersey 08544-8019, USA 2Institute for Materials Research (IMR), Tohoku University, Sendai 980-8577, Japan 3Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur, Bangalore, 560 064, India Received 14 April 2008; revised manuscript received 13 June 2008; published 4 September 2008
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تاریخ انتشار 2008