Quantum effects in the capacitance between a pair of thin and slightly separated SrTiO₃ slabs: A first-principles study

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Kazuyuki Uchida, Hiroyuki Kageshima, and Hiroshi Inokawa
NTT Basic Research Laboratories, 3-1 Morinosato Wakamiya, Atsugi-Shi, Kanagawa 243-0198, Japan

Received 13 April 2006; revised 3 June 2006; published 10 July 2006

Wecalculated the capacitance between a pair of thin and slightlyseparated SrTiO₃ slabs (electrodes) by using first-principles approaches with theenforced Fermi-energy difference method. The calculated capacitance exhibited several quantumeffects, which were successfully understood by relating them to thedensity of states of the electrodes and the effective andvariable interelectrode distance. The present work is an indispensable steptowards exhaustive and systematic first-principles investigations of the capacitors whoseelectrodes are composed of a series of transition-metal oxides.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.74.035408
DOI:	10.1103/PhysRevB.74.035408
PACS:	73.20.At; 71.15.-m; 77.90.+k 73.20.At Surface states, band structure, electron density of states 71.15.-m Methods of electronic structure calculations (condensed matter) 77.90.+k Other topics in dielectrics, piezoelectrics, and ferroelectrics and their properties (restricted to new topics in section 77) YEAR: 2006
KEYWORDS:	strontium compounds, capacitance, slabs, ab initio calculations, electrodes, Fermi level, electronic density of states, capacitors

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