Ab initio studies on phase behaviour of barium titanate Conference Paper

abstract

• The energy-volume behaviour of paraelectric and ferroelectric phases of BaTiO3 were discussed. The structure, equations of state (EOS) and phase behaviour were determined by quantum mechanical calculations of EOS. The results indicated that pressure induced phase transitions were obtained in the correct order and at right pressure.

authors

• Cagin, Tahir

published proceedings

• Materials Research Society Symposium - Proceedings

author list (cited authors)

• Uludogan, M., Cagin, T., & Goddard, W. A.

complete list of authors

• Uludogan, M||Cagin, T||Goddard, WA

publication date

• January 2002

published in

• MRS Online Proceedings Library  Journal

start page

• 341

end page

• 346

volume

• 718