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PHASEを用いた学術論文

PHASEを用いた学術論文リスト

ここでは、PHASEを用いた学術論文をご紹介します。研究開発の参考資料としてご利用ください。弊社ではPHASEを用いた文献全てを把握しておりませんので、リストに載っていない論文がございましたら、 お手数おかけして申し訳ありませんが E-mail: office@advancesoft.jp までご連絡いただきたくお願いいたします。

  1. Mitsutoshi Nishiwaki, Keisuke Nagaya, Masato Kato, Shohei Fujimoto, Hitoshi Tampo, Tetsuhiko Miyadera, Masayuki Chikamatsu, Hajime Shibata, and Hiroyuki Fujiwara, "Tail state formation in solar cell materials: First principles analyses of zincblende, chalcopyrite, kesterite, and hybrid perovskite crystals", Phys. Rev. Materials 2, 085404 (2018). [Abstract]
  2. Keisuke Nagaya, Shohei Fujimoto, Hitoshi Tampo, Shinho Kim, Mitsutoshi Nishiwaki, Yukinori Nishigaki, Masato Kato, Hajime Shibata, and Hiroyuki Fujiwara, "Very small tail state formation in Cu2ZnGeSe4", Appl. Phys. Lett. 113, 093901 (2018). [Abstract]
  3. Kohei Tada, Yasushi Maeda, Hiroyuki Ozaki, Shingo Tanaka and Shin-ichi Yamazaki, "Theoretical investigation on the interaction between Rh III octaethylporphyrin and a graphite basal surface: a comparison study of DFT, DFT-D, and AFM", Phys. Chem. Chem. Phys. 20, 20235-20246 (2018). [Abstract]
  4. Akihide Hayashi, Yoshinori Ato, Kohei Tada, Hiroaki Koga, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura, "Theoretical Investigation of Surface Oxidation of NiO/Au Core-Shell Catalyst", e-Journal of Surface Science and Nanotechnology 16, 242-246 (2018). [Abstract]
  5. K. Tada, H. Koga, M. Okumura, S. Tanaka, "Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(001) surface: First application of approximate spin projection (AP) method to plane wave basis" Chem. Phys. Lett. 701, 103 (2018) [Abstract]
  6. Y. Takagiwa, Y. Isoda, M. Goto, Y. Shinohara, "Conduction type control and power factor enhancement of the thermoelectric material Al2Fe3Si3", J. Phys. Chem. Solids 118, 95 (2018). [Abstract]
  7. Y. Takagiwa, Y. Isoda, M. Goto, Y. Shinohara, "Electronic structure and thermoelectric properties of narrow-band-gap intermetallic compound Al2Fe3Si3" , J. Therm. Anal. Calorim. 131, 281 (2018) [Abstract]
  8. Hiroyuki Fujiwara, Masato Kato, Masato Tamakoshi, Tetsuhiko Miyadera, and Masayuki Chikamatsu, “Optical characteristics and operational principles of hybrid perovskite solar cells”, Phys. Status Solidi A 1700730 (2018). [Abstract]
  9. K. Takahashi, M. Sakamoto, K. Kumagai, T. Hasegawa, S. Ishio, "Uniaxial magnetic anisotropy of tetragonal FeCoV and FeCoVC films" ; J. Phys. D: Appl. Phys. 51 (2018) 065005. [Abstract]
  10. Kohei Tada, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka, "Clarification of the interaction between Au atoms and the anatase TiO2(1 1 2) surface using density functional theory" Surface Science 670 (2018) 23-32. [Abstract]
  11. Bao-Wen Li, Minoru Osada, Yoon-Hyun Kim, Yasuo Ebina, Kosho Akatsuka, and Takayoshi Sasaki, "Atomic Layer Engineering of High-κ Ferroelectricity in 2D Perovskite", J. Am. Chem. Soc. 139 (31), pp 10868-10874 (2017) [Abstract]
  12. Masato Kato, Takemasa Fujiseki, Tetsuhiko Miyadera, Takeshi Sugita, Shohei Fujimoto, Masato Tamakoshi, Masayuki Chikamatsu and Hiroyuki Fujiwara, “Universal rules for visible-light absorption in hybrid perovskite materials”, J. Appl. Phys. 121, 115501 (2017) [Selected as a featured paper]. [Abstract]
  13. Hiroyuki Fujiwara, Shohei Fujimoto, Masato Tamakoshi, Masato Kato, Hideyuki Kadowaki, Tetsuhiko Miyadera, Hitoshi Tampo, Masayuki Chikamatsu, and Hajime Shibata, “Determination and interpretation of the optical constants for solar cell materials”, Appl. Surf. Sci. 421276 (2017). [Abstract]
  14. Masaki Shirayama, Masato Kato, Tetsuhiko Miyadera, Takeshi Sugita, Takemasa Fujiseki, Shota Hara, Hideyuki Kadowaki, Daisuke Murata, Masayuki Chikamatsu, and Hiroyuki Fujiwara, “Degradation mechanism of CH3NH3PbI3 perovskite materials upon exposure to humid air”, J. Appl. Phys. 119, 115501 (2016). [Abstract]
  15. Masaki Shirayama, Hideyuki Kadowaki, Tetsuhiko Miyadera, Takeshi Sugita, Masato Tamakoshi, Masato Kato, Takemasa Fujiseki, Daisuke Murata, Shota Hara, Takurou N. Murakami, Shohei Fujimoto, Masayuki Chikamatsu, and Hiroyuki Fujiwara, “Optical transitions in hybrid perovskite solarcells: Ellipsometry, density functional theory, and quantum efficiency analyses for CH3NH3PbI3”, Phys. Rev. Applied 5, 014012 (2016) [Abstract]
  16. Yoshiki Hirate, Hitoshi Tampo, Shota Minoura, Hideyuki Kadowaki, Akihiro Nakane, Kang Min Kim, Hajime Shibata, Shigeru Niki, and Hiroyuki Fujiwara, Dielectric functions of Cu2ZnSnSe4 and Cu2SnSe3 semiconductors, J. Appl. Phys. 117, 015702 (2015). [Abstract]
  17. Y. Takagiwa, S. Utada, I. Kanazawa and K. Kimura (2015) MoSi2-type narrow band gap intermetallic compound Al6Re5Si4 as a thermoelectric material , Journal of Materials Chemistry C Materials for optical, magnetic and electronic devices , DOI: 10.1039/C5TC01608H, Received 03 Jun 2015, Accepted 23 Jun 2015, First published online 07 Jul 2015 [Abstract]
  18. Y. Takagiwa, Y. Miyazaki, T. Yoshida, D. Yanagihara, S. Ueda, K. Kitahara, K. Kimura (2015) Thermoelectric properties of (α-, δ-, ζ-) Ti-Ru-B approximants for the decagonal quasicrystal , Solid State Sciences, doi:10.1016/j.solidstatesciences.2015.02.008 [Abstract]
  19. Y. Guo, S. Inoue, A. Kobayashi, J. Ohta, and H. Fujioka, "Theoretical investigation of InN growth on Mn-stabilized zirconia (111) substrates", Thin Solid Films 551, 110-113 (2014). [Abstract]
  20. Y. Takagiwa, T. Yoshida, D. Yanagihara, K. Kimura, (2014) Thermoelectric Properties of Pseudogap Ti10Ru19B8 and Ti9TM2Ru18B8 (TM:Cr-Cu) Compounds , Journal of Electronic Materials, DOI 10.1007/s11664-014-3423-8 [Abstract]
  21. Junya Nakamura, Takahiro Kaneko, Takashi Hara, Kyosuke Yoshimi, Kouichi Maruyama, Hirokazu Katsui, Takashi Goto (2014) Site-occupation behavior and solid-solution hardening effect of rhenium in Mo5 SiB2 , Intermetallics, Volume 53, October 2014, Pages 85-91, DOI 10.1016/j.intermet.2014.04.009 [Abstract]
  22. Shinji Munetoh, Makoto Saisho, Takuya Oka, Toshiko Osada, Hideshi Miura, Osamu Furukimi (2014) Reinvestigation of Thermoelectric Properties of n - and p -Type Ba8-d Au x Si46-x-y Clathrate, Journal of Electronic Materials DOI 10.1007/s11664-014-3118-1 [Abstract]
  23. Takashi Inushima, Yuichi Ota, and Hiromu Shiomi (2014) Evolution of the Impurity Band to Diamond-Like Valence Bands in Boron Doped Diamond, J. Phys. Soc. Jpn., Vol.83, No.2, Article ID: 024715 DOI: 10.7566/JPSJ.83.024715 [Abstract]
  24. Y. Guo, S. Inoue, A. Kobayashi, J. Ohta, and H. Fujioka, "Theoretical investigation of polarity determination for c-plane InN grown on yttria-stabilized zirconia (111) substrates with yttrium surface segregation", Appl. Phys. Express 6, 021002 (2013). [Abstract]
  25. Y. Guo, S. Inoue, A. Kobayashi, J. Ohta, and H. Fujioka, "Theoretical study of the initial stage of InN growth on cubic zirconia (111) substrates", Phys. Status Solidi RRL 7, 207 (2013). [Abstract]
  26. Tsunehiro Takeuchi, Yuichi Terazawa, Yukihiro Furuta, Akio Yamamoto, Masashi Mikami, "Effect of Heavy Element Substitution and Off-Stoichiometric Composition on Thermoelectric Properties of Fe2VAl-Based Heusler Phase", Journal of Electronic Materials 42, 2084-2091 (2013). [Abstract]
  27. K. Yoneta, R. Sato, Y. Iwata, K. Atsumi, K. Okamoto and Y. Sato, "Study of Low Load and Temperature, High Heat-Resistant Solid-Phase Sn-Ag Bonding with Formation of Ag3Sn Intermetallic Compound Via Nanoscale Thin Film Control for Wafer-Level 3D-Stacking for 3D LSI", IEEE 63rd Electronic Components and Technology Conference, Las Vegas, NV, pp. 2381-2384, 2013. [Abstract]
  28. 米田 聖人, 佐藤 了平, 岩田 剛冶, 宮川 春彦, 礒野 貴充, 岡本 和也, "第一原理計算によるSnO2系透明電極の電子状態解析と低抵抗化に関する研究", 溶接学会論文集30巻1号 p. 86-93, 2012. [Abstract]
  29. Takashi Yamamoto, Shingo Ogawa, Jun-ichi Tsuji, Koji Kita, Katsunori Tagami, Tsuyoshi Uda, Takuji Hosoi, Takayoshi Shimura, and Heiji Watanabe,“Comprehensive Study of the X-Ray Photoelectron Spectroscopy Peak Shift of La-Incorporated Hf Oxide for Gate Dielectrics”, Jpn. J. Appl. Phys. 51 (2012) 048005,2012. [Abstract]
  30. Shin KIKUCHI, Akikazu KURIHARA, Hiroyuki OHSHIMA, Kenro HASHIMOTO, "Theoretical Study of Sodium-Water Surface Reaction Mechanism", Journal of Power and Energy Systems 6, 76-86 (2012). [Abstract]
  31. Seungwon PARK,Shota ITO,Kaoru TAKASU,Takeshi YAO (2012) Multistage Li Insertion and Extraction Relaxation Analysis of γ-Fe2O3. Electrochemisty 80, 804-807. [Abstract]
  32. Chikashi Suzuki, Toshio Nakagiri, "The configuration and electronic state of SO3 adsorbed on Au surface", Journal of Physics and Chemistry of Solids 72, 10-16 (2011). [Abstract]
  33. Mineharu Tsukada, Masato Wakamura, Naoya Yoshida, Toshiya Watanabe, "Band gap and photocatalytic properties of Ti-substituted hydroxyapatite: Comparison with anatase-TiO2", Journal of Molecular Catalysis A: Chemical 338, 18-23 (2011) [Abstract]
  34. T. Matsunaga, R. Kojima, N. Yamada, T. Fujita, K. Kifune, Y. Kubota and M. Takata, "Structural investigation of GeSb6Te10 and GeBi6Te10 intermetallic compounds in the chalcogenide homologous series", Acta Cryst. B 66, 407-411 (2010). [Abstract]
  35. H. Watanabe, K. Kawabata and T. Ichikawa, "A Tight Binding Method Study of Optimized$\hbox{Si}{-} \hbox{SiO}_{2}$System," IEEE Transactions on Electron Devices 57, 3084-3091 (2010). [Abstract]
  36. M. Yoshitake, I. Karas, and J. Houfek (2010) Position of segregated Al atoms and the work function: Experimental low energy electron diffraction intensity analysis and first-principles calculation of the (√3×√3)R30° superlattice phase on the (111) surface of a Cu?9 at. %Al alloy. J. Vac. Sci. Technol. 28, 152-158. [Abstract]
  37. J. D. Baniecki, M. Ishii, K. Kurihara, K. Yamanaka, T. Yano, K. Shinozaki, T. Imada, and Y. Kobayashi, "Chemisorption of water and carbon dioxide on nanostructured BaTiO3?SrTiO3(001) surfaces", Journal of Applied Physics 106, 054109 (2009). [Abstract]
  38. Mutsumi Nagata, Shinji Okamoto, Katsu Tanaka, and Akira Tamaki, "Photoluminescence of SrGa2S4:Mn Phosphors", ECS Trans. 16, 7-12 (2009). [Abstract]
  39. M. Nagata, S. Okamoto, K. Tanaka, T. Sakai, and A. Tamaki, "Green photoluminescence of SrGa2S4:Sn phosphors", phys. stat. sol. (a) 206, 2613-2616 (2009). [Abstract]
  40. Chikashi Suzuki, Yoichi Yamada, Toshio Nakagiri, "Evaluation for the configurational and electronic state of SO3 adsorbed on Pt surface", Applied Surface Science 256, 862-869 (2009). [Abstract]
  41. A. Kawasuso, Y. Fukaya, M. Hashimoto, A. Ichimiya, H. Narita, I. Matsuda, "Atomic Scale Study of Surface Structures and Phase Transitions with Reflection High-Energy Positron Diffraction", Materials Science Forum 607, 94-98 (2009). [Abstract]
  42. Eiichi Okuno, Toshio Sakakibara, Shoichi Onda, Makoto Itoh, and Tsuyoshi Uda (2009) Effect of Hydrogenation on the Dangling-Bond Free 4H-SiC(1120)/SiO2 Interface Studied by Ab Initio Calculations. Appl. Phys. Express 2,085503. [Abstract]
  43. Eiichi Okuno, Toshio Sakakibara, Shoichi Onda, Makoto Itoh, and Tsuyoshi Uda (2009) Ab initio theoretical study of an oxygen vacancy defect at the 4H-SiC(0001)/SiO2 interface. Phys. Rev. B 79, 113302. [Abstract]
  44. J Suda, O Kamishima, J Kawamura, T Hattori and T Sato, "Anharmonicity on Raman active phonon modes of LaAlO3", J. Phys.: Conf. Ser. 150 052249 (2009). [Abstract]
  45. Toshiyuki Matsunaga, Rie Kojima, Noboru Yamada, Kouichi Kifune, Yoshiki Kubota, and Masaki Takata, "Structural Features of Ge1Sb4Te7, an Intermetallic Compound in the GeTe-Sb2Te3 Homologous Series", Chemistry of Materials 20,5750-5755 (2008). [Abstract]
  46. Chikashi Suzuki, Toshio Nakagiri, "Investigation of SO3 adsorption and dissociation on Pt electrode", Solid State Ionics 179, 855-861 (2008). [Abstract]
  47. Y. Fukaya, M. Hashimoto, A. Kawasuso, A. Ichimiya, "Surface structure of Si(111)-(8×2) In determined by reflection high-energy positron diffraction" Surface Science 602, 2448-2452 (2008). [Abstract]
  48. M. Hashimoto, Y. Fukaya, A. Kawasuso, A. Ichimiya, "Quasi-one-dimensional In atomic chains on Si(111) at low temperature studied by reflection high-energy positron diffraction and scanning tunneling microscopy", Applied Surface Science 254, 7733-7736 (2008). [Abstract]
  49. K. Okamoto, S. Inoue, N. Matsuki, T.-W. Kim, J. Ohta, M. Oshima, H. Fujioka, and A. Ishii (2008) Epitaxial growth of GaN films grown on single crystal Fe substrates. Appl. Phys. Lett. 93, 251906. [Abstract] (著者の井上様よりAdvance/PHASEを利用したとのご連絡をいただきました)
  50. J. D. Baniecki, M. Ishii, K. Kurihara, K. Yamanaka, T. Yano, K. Shinozaki, T. Imada, K. Nozaki, and N. Kin (2008) Photoemission and quantum chemical study of SrTiO3(001) surfaces and their interaction with CO2. Phys. Rev. B 78, 195415. [Abstract]
  51. Eiichi Okuno, Toshio Sakakibara, Shoichi Onda, Makoto Itoh, and Tsuyoshi Uda (2008) First Principles Theoretical Study of 4H-SiC/SiO2 Interfacial Electronic States on (0001), (0001), and (1120). Appl. Phys. Express 1, 061401. [Abstract]
  52. Toshiyuki Matsunaga, Rie Kojima, Noboru Yamada, Kouichi Kifune, Yoshiki Kubota, and Masaki Takata (2007) Structural investigation of Ge3Sb2Te6, an intermetallic compound in the GeTe?Sb2Te3 homologous series. Appl. Phys. Lett. 90, 161919. [Abstract]
  53. J. Suda, O. Kamishima, J. Kawamura, T. Hattori and T. Sato, "Anharmonicity on Raman active phonon modes of LaGaO3" J. Phys.: Conf. Ser. 92, 012148 (2007). [Abstract]
  54. Toshiyuki Matsunaga, Rie Kojima, Noboru Yamada, Kouichi Kifune, Yoshiki Kubota, Yoshikazu Tabata, and Masaki Takata (2006) Single Structure Widely Distributed in a GeTe-Sb2Te3 Pseudobinary System: A Rock Salt Structure is Retained by Intrinsically Containing an Enormous Number of Vacancies within its Crystal. Inorg. Chem. 45, 2235-2241. [Abstract]
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