Phase transitions in BaTiO3 from first principles

Physical Review Letters

Volumn 73, Issue 13, 1994, Pages 1861-1864

  Zhong, W ^a   Vanderbilt, David ^a   Rabe, K M ^b  

^a RUTGERS UNIVERSITY   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001139041     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.73.1861     Document Type: Article

References (31)

1. On the application of mean-field and landau theory to displacive phase transitions
2. Theory for the Forces between Closed-Shell Atoms and Molecules
3. Electronic structure studies of the differences in ferroelectric behavior of batio3and PbTiO3
4. First principles analysis of vibrational modes in KNbO3
5. A first-principles pseudopotential investigation of ferroelectricity in barium titanate