Takeshi Nishimatsu Publication List

  1. Takeshi Nishimatsu, Anna Grünebohm, Umesh V. Waghmare and Momoji Kubo:
    "Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3 with a Semi-Empirical Effective Hamiltonian"
    , to be published in J. Phys. Soc. Jpn.
    ??
    , ??????/1-6 (2016), arXiv:1608.06433.
  2. Anna Grünebohm and Takeshi Nishimatsu:
    "Influence of defects on ferroelectric and electrocaloric properties of BaTiO3"
    , Phys. Rev. B
    93
    , 134101/1-12 (2016), doi:10.1103/PhysRevB.93.134101.
  3. Madhura Marathe, Anna Grünebohm, Takeshi Nishimatsu, Peter Entel and Claude Ederer:
    "First principles-based calculation of the electrocaloric effect in BaTiO3: comparison between direct and indirect methods"
    , Phys. Rev. B
    93
    , 054110/1-9 (2016), doi:10.1103/PhysRevB.93.054110.
  4. Jordan A. Barr, S. P. Beckman and Takeshi Nishimatsu:
    "Elastocaloric Response of PbTiO3 Predicted from a First-Principles Effective Hamiltonian"
    , J. Phys. Soc. Jpn.
    84
    , 024716/1-5 (2015), doi:10.7566/JPSJ.84.024716.
  5. Takeshi Nishimatsu, Jordan A. Barr and S. P. Beckman:
    "Direct molecular dynamics simulation of electrocaloric effect in BaTiO3"
    , J. Phys. Soc. Jpn.
    82
    , 114605/1-4 (2013), doi:10.7566/JPSJ.82.114605.
  6. Summayya Kouser, Takeshi Nishimatsu and Umesh V. Waghmare:
    "Ferroelectric domains and diffuse transitions in ultrathin films of PbTiO3: Effects of strain and electrodes"
    , Phys. Rev. B
    88
    , 064102/1-6 (2013), doi:10.1103/PhysRevB.88.064102.
  7. Takeshi Nishimatsu, Kenta Aoyagi, Takanori Kiguchi, Toyohiko J. Konno, Yoshiyuki Kawazoe, Hiroshi Funakubo, Anil Kumar and Umesh V. Waghmare:
    "Molecular Dynamics Simulation of 90° Ferroelectric Domains in PbTiO3"
    , J. Phys. Soc. Jpn.
    81
    , 124702/1-5 (2012), doi:10.1143/JPSJ.81.124702.
  8. S. P. Beckman, L. F. Wan, Jordan A. Barr and Takeshi Nishimatsu:
    "Effective Hamiltonian Methods for Predicting the Electrocaloric Behavior of BaTiO3"
    , Materials Letters
    89
    , 254-257 (2012), doi:10.1016/j.matlet.2012.08.102.
  9. L. F. Wan, T. Nishimatsu and S. P. Beckman:
    "The structural, dielectric, elastic, and piezoelectric properties of KNbO3 from first-principles methods"
    , J. Appl. Phys.
    111
    , 104107/1-7 (2012), doi:10.1063/1.4712052.
  10. Takeshi Nishimatsu, Masaya Iwamoto, Yoshiyuki Kawazoe and Umesh V. Waghmare:
    "First-principles accurate total-energy surfaces for polar structural distortions of BaTiO3, PbTiO3, and SrTiO3: consequences to structural transition temperatures"
    , Phys. Rev. B
    82
    , 134106/1-9 (2010), doi:10.1103/PhysRevB.82.134106.
  11. Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe and Umesh V. Waghmare:
    "Polarization rotation, switching, and electric-field--temperature phase diagrams of ferroelectric BaTiO3: A molecular dynamics study"
    , Phys. Rev. B
    80
    , 024107/1-6 (2009), doi:10.1103/PhysRevB.80.024107.
  12. J. Paul, T. Nishimatsu, Y. Kawazoe and U. V. Waghmare:
    "Polarization switching in epitaxial films of BaTiO3: A molecular dynamics study"
    , Appl. Phys. Lett.
    93
    , 242905/1-3 (2008), doi:10.1063/1.3040326.
  13. Takeshi Nishimatsu, Umesh V. Waghmare, Yoshiyuki Kawazoe and David Vanderbilt:
    "Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian"
    , Phys. Rev. B
    78
    , 104104/1-11 (2008), doi:10.1103/PhysRevB.78.104104. This paper is selected as Editors' Suggestion in the journal. FIG. 6(a) is also selected as one of PRB Kaleidoscope Images: September 2008.
  14. J. Paul, T. Nishimatsu, Y. Kawazoe and U. V. Waghmare:
    "A first-principles study of phase transitions in ultrathin films of BaTiO3"
    , Pramana-J. Phys.
    70
    , 263-270 (2008), doi:10.1007/s12043-008-0045-9.
  15. Nobuhiko Sarukura, Hidetoshi Murakami, Elmer Estacio, Shingo Ono, Riadh El Ouenzerfi, Marilou Cadatal, Takeshi Nishimatsu, Noriaki Terakubo, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Akira Yoshikawa and Tsuguo Fukuda:
    "Proposed design principle of fluoride-based materials for deep ultraviolet light emitting devices"
    , Opt. Mater.
    30
    , 15-17 (2007), doi:10.1016/j.optmat.2006.11.031.
  16. B. P. Burton and Takeshi Nishimatsu:
    "First principles phase diagram calculations for the system NaNbO3-KNbO3: Can spinodal decomposition generate relaxor ferroelectricity?"
    , Appl. Phys. Lett.
    91
    , 092907/1-3 (2007), doi:10.1063/1.2775308.
  17. Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe and Umesh V. Waghmare:
    "Ferroelectric phase transitions in ultrathin films of BaTiO3"
    , Phys. Rev. Lett.
    99
    , 077601/1-4 (2007), doi:10.1103/PhysRevLett.99.077601.
  18. Nozomi Orita, Takeshi Nishimatsu and Hiroshi Katayama-Yoshida:
    "ab initio study for site symmetry of phosphorus-doped diamond"
    , Jpn. J. Appl. Phys.
    46
    , 315-317 (2007), doi:10.1143/JJAP.46.315.
  19. Karin Söderberg, Magnus Boströmb, Yoshiki Kubota, Takeshi Nishimatsu, Rainer Niewa, Ulrich Häussermann, Yuri Grin and Osamu Terasaki:
    "Crystal structures and phase stability in pseudobinary CaAl2-xZnx"
    , J. Solid State Chem.
    179
    , 2690-2697 (2006), doi:10.1016/j.jssc.2006.05.018.
  20. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki and Y. Kawazoe:
    "Electronic and magnetic properties of double-impurities-doped TiO2 (rutile): First-principles calculations"
    , J. Appl. Phys.
    99
    , 08M105/1-3 (2006), doi:10.1063/1.2165108.
  21. S. Ono, R. El Ouenzerfi, A. Quema, H. Murakami, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa and T. Fukuda:
    "Band-structure design of fluoride complex materials for deep-ultraviolet light-emitting diodes"
    , Jpn. J. Appl. Phys.
    44
    , 7285-7290 (2005), doi:10.1143/JJAP.44.7285.
  22. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki and Y. Ikeda:
    "ab initio study of strain-induced ferroelectricity in SrTiO3"
    , Jpn. J. Appl. Phys.
    44
    , 7134-7140 (2005), doi:10.1143/JJAP.44.7134.
  23. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki and Y. Kawazoe:
    "TiO2 (rutile) doped with double impurities for fabricating spintronic devices - a combinatorial computational approach"
    , Meas. Sci. Technol.
    16
    , 242-247 (2005), doi:10.1088/0957-0233/16/1/032.
  24. R. El Ouenzerfi, S. Ono, A. Quema, M. Goto, M. Sakai, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, H. Sato, D. Ehrentraut, A. Yoshikawa and T. Fukuda:
    "Design of wide-gap fluoride heterostructures for deep ultraviolet optical devices"
    , J. Appl. Phys.
    96
    , 7655-7659 (2004), doi:10.1063/1.1808474.
  25. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki and Y. Ikeda:
    "ab initio determination of total-energy surfaces for distortions of ferroelectric perovskite oxides"
    , Jpn. J. Appl. Phys.
    43
    , 6785-6792 (2004), doi:10.1143/JJAP.43.6785.
  26. R. El Ouenzerfi, S. Ono, A. Quema, M. Goto, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa and T. Fukuda:
    "Design proposal of light emitting diode in vacuum ultraviolet based on perovskite-like fluoride crystals"
    , Jpn. J. Appl. Phys.
    43
    , L1140-L1143 (2004), doi:10.1143/JJAP.43.L1140.
  27. T. Nishimatsu, M. Sluiter, H. Mizuseki, Y. Kawazoe, Y. Sato, M. Miyata and M. Uehara:
    "Prediction of XPS spectra of silicon self-interstitials with the all-electron mixed-basis method"
    , Physica B
    340
    , 570-574 (2003), doi:10.1016/j.physb.2003.09.133.
  28. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura, N. Ichinose and T. Fukuda:
    "ab initio study of divalent 3d transition metal impurities in KMgF3 and BaLiF3"
    , Jpn. J. Appl. Phys.
    42
    , 5082-5085 (2003), doi:10.1143/JJAP.42.5082.
  29. H. Katayama-Yoshida, T. Nishimatsu, T. Yamamoto and N. Orita:
    "Codoping in wide band-gap semiconductors"
    , Compound Semiconductors 1998 (Proceedings of the Twenty-Fifth International Symposium on Compound Semiconductors Held in Nara, Japan, 12-16 October 1998), 747-756 (1999).
  30. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura and T. Fukuda:
    "Band structures of perovskite-like fluorides for vacuum-ultraviolet-transparent lens materials"
    , Jpn. J. Appl. Phys.
    41
    , L365-L367 (2002), doi:10.1143/JJAP.41.L365.
  31. T. Nishimatsu, H. Katayama-Yoshida and N. Orita:
    "ab initio study of donor-hydrogen complexes for low-resistivity n-type diamond semiconductor"
    , Jpn. J. Appl. Phys.
    41
    , 1952-1962 (2002), doi:10.1143/JJAP.41.1952.
  32. H. Katayama-Yoshida, T. Nishimatsu, T. Yamamoto and N. Orita:
    "Codoping method for the fabrication of low-resistivity wide band-gap semiconductors in p-type GaN, p-type AlN and n-type diamond: prediction versus experiment"
    , J. Phys.-Condes. Matter
    13
    , 8901-8914 (2001).
  33. T. Nishimatsu, H. Katayama-Yoshida and N. Orita:
    "Theoretical study of hydrogen-related complexes in diamond for low-resistive n-type diamond semiconductor"
    , Physica B
    302
    , 149-154 (2001), doi:10.1016/S0921-4526(01)00420-3.
  34. H. Katayama-Yoshida, T. Nishimatsu, T. Yamamoto and N. Orita:
    "Comparison between the theoretical prediction of codoping and the recent experimental evidences in p-type GaN, AlN, ZnSe, CuInS2 and n-type diamond"
    , phys. stat. sol. (b)
    210
    , 429-436 (1998).
  35. T. Nishimatsu, H. Katayama-Yoshida and N. Orita:
    "Valence controls and codoping for low-resistivity n-type diamond by ab initio molecular-dynamics simulation"
    , Materials Science Forum (Proceedings of The 19th International Conference on Defects in Semiconductors)
    258-263
    , 799-803 (1997).