First-principles modeling of ferroelectric capacitors via constrained displacement field calculations
نویسندگان
چکیده
Massimiliano Stengel,1 David Vanderbilt,2 and Nicola A. Spaldin3 1Centre Européen de Calcul Atomique et Moléculaire (CECAM), Station 13, Bat. PPH, 1015 Lausanne, Switzerland 2Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA 3Materials Department, University of California, Santa Barbara, California 93106-5050, USA Received 17 August 2009; revised manuscript received 23 November 2009; published 28 December 2009
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