Items where Author is "Kawazoe, Yoshiyuki"

Article

Nishimatsu, Takeshi ; Iwamoto, Masaya ; Kawazoe, Yoshiyuki ; Waghmare, Umesh V. (2010) First-principles accurate total energy surfaces for polar structural distortions of BaTiO₃, PbTiO₃, and SrTiO₃: consequences for structural transition temperatures Physical Review B: Condensed Matter and Materials Physics, 82 (13). pp. 134106_1-134106_9. ISSN 1098-0121

Paul, Jaita ; Nishimatsu, Takeshi ; Kawazoe, Yoshiyuki ; Waghmare, Umesh V. (2009) Polarization rotation, switching, and electric-field-temperature phase diagrams of ferroelectric BaTiO₃: a molecular dynamics study Physical Review B: Condensed Matter and Materials Physics, 80 (2). pp. 024107_1-024107_6. ISSN 1098-0121

Nishimatsu, Takeshi ; Waghmare, Umesh V. ; Kawazoe, Yoshiyuki ; Vanderbilt, David (2008) Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian Physical Review B: Condensed Matter and Materials Physics, 78 (10). pp. 104104_1-104104_11. ISSN 1098-0121

Paul, Jaita ; Nishimatsu, Takeshi ; Kawazoe, Yoshiyuki ; Waghmare, Umesh V. (2008) Polarization switching in epitaxial films of BaTiO₃: a molecular dynamics study Applied Physics Letters, 93 (24). pp. 242905_1-242905_3. ISSN 0003-6951

Paul, Jaita ; Nishimatsu, Takeshi ; Kawazoe, Yoshiyuki ; Waghmare, Umesh V. (2007) Ferroelectric phase transitions in ultrathin films of BaTiO₃ Physical Review Letters, 99 (7). pp. 077601_1-077601_4. ISSN 0031-9007

Waghmare, Umesh ; Sluiter, Marcel H. F. ; Kimura, Teiichi ; Goto, Takashi ; Kawazoe, Yoshiyuki (2004) A lead-free high-T_C ferroelectric BaTi₂O₅: a first-principles study Applied Physics Letters, 84 (24). pp. 4917-4919. ISSN 0003-6951

Anil Kumar, A. V. ; Yashonath, S. ; Sluiter, Marcel ; Kawazoe, Yoshiyuki (2001) Rotational motion of methane within the confines of zeolite NaCaA: molecular dynamics and ab initio calculations Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 65 (1). pp. 011203_1-011203_6. ISSN 1539-3755