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KOBAYASHI, Kazuaki
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305-0044 1-1 Namiki Tsukuba Ibaraki JAPAN [Access]
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Keywords

First-Principles,Band calculation,Search for unknown materials(Materials Design), BN,AlN,SiC,Polytype,Layer structure,TiN/MgO(Surface and Interface),Electronic Structure,Electronic Band Structure,Wide Band Gap,Car-Parrinello method,Pseudopotential,Plane wave basis sets,DFT,LDA,Pseudopotential Database,NCPS2K,Banner of NCPS2K. sample B


[New papers]
[1]Jean-Baptiste Vaney, Sima Aminorroaya Yamini, Hirokazu Takaki, Kazuaki Kobayashi, Nobuhiko Kobayashi, Takao Mori, "Magnetism-mediated thermoelectric performance of the Cr-doped bismuth telluride tetradymite", Mater. Today Phys. 8 (2019) 100090.
[2]Hirokazu Takaki, Kazuaki Kobayashi, Masato Shimono, Nobuhiko Kobayashi, Kenji Hirose, Naohito Tsujii, and Takao Mori, "Seebeck coefficients in CuFeS2 thin films by first-principles calculations", Jpn. J. Appl. Phys. 58[SI] (2019) SIIB01 (Special issue).
[3]Kazuaki Kobayashi, Hirokazu Takaki, Masato Shimono, Nobuhiko Kobayashi, and Kenji Hirose, "Electronic Band Structure of TiN/MgO-4×4 and 5×5 Nanostructures", Jpn. J. Appl. Phys. 58[SB] (2019) SBBH06 (Special issue).
[4]Hirokazu Takaki, Kazuaki Kobayashi, Masato Shimono, Nobuhiko Kobayashi, Kenji Hirose, Naohito Tsujii, and Takao Mori, "Thermoelectric properties of a magnetic semiconductor CuFeS2", Mater. Today Phys. 3 (2017) 85-92.
[5]Hirokazu Takaki, Kazuaki Kobayashi, Masato Shimono, Nobuhiko Kobayashi, and Kenji Hirose, "Enhancement of thermoelectric properties in surface nanostructures", J. Electron. Mater. 46[10], 5593 - 5598 (2017).
[6]Kazuaki Kobayashi, Atta Ullah, and Takao Mori, "Electronic structures of Si- and Te-doped CoSb3 compounds under high pressures", Jpn. J. Appl. Phys. 56[5S3] (2017) 05FB07 (Special issue).
[7]Kazuaki Kobayashi, Hirokazu Takaki, Masato Shimono, Nobuhiko Kobayashi, and Kenji Hirose, "Electronic band structure of TiN/MgO nanostructures", Jpn. J. Appl. Phys. 56[4S] (2017) 04CK06 (Special issue).
[8]Hirokazu Takaki, Kazuaki Kobayashi, Masato Shimono, Nobuhiko Kobayashi, Kenji Hirose, Naohito Tsujii, and Takao Mori, "First-principles calculations of Seebeck coefficients in a magnetic semiconductor CuFeS2", Appl. Phys. Lett. 110[7] (2017) 072107.
[9]A. U. Khan, K. Kobayashi, D. Tang, Y. Yamauchi, K. Hasegawa, M. Mitome, Y. Xue, B. Jiang, K. Tsuchiya, D. Golberg, Y. Bando, and T. Mori, "Nano-micro-porous skutterudites with 100% enhancement in ZT for high performance thermoelectricity", Nano Energy, 31, 152 - 159 (2017).
[10]H. Takaki, K. Kobayashi, M. Shimono, N. Kobayashi and K. Hirose, "First-principles calculations of thermoelectric properties of TiN/MgO superlattices - the route for enhancement of thermoelectric effects in artificial nanostructures", J. Appl. Phys. 119 (2016) 014302.
[11]K. Kobayashi, H. Takaki, N. Kobayashi, and K. Hirose, "Electronic Band Structure of Various TiN/MgO Superlattices", JPS Conf. Proc. 5, 011013(2015) (CSW2014)
[12]K. Kobayashi, N. Kobayashi, and K. Hirose, "First-Principles Study of TiN/MgO Interfaces", e-J. Surf. Sci. Nanotech., 12 (2014) 230 - 237 (ACSIN-12 & ICSPM21)
[13]K. Kobayashi and S. Komatsu, "First-Principles Study of AlBN and Related Polytypes", Trans. MRS-J, Vol. 38[3], 485-492 (2013).
[14]K. Kobayashi and S. Komatsu, "First-Principles Study of Various BN, SiC, and AlN polytypes", Trans. MRS-J, Vol. 37, 583-588 (2012)[IUMRS-ICEM2012].
[15]K. Kobayashi and S. Komatsu, "First-Principles Study of 8H-, 10H-, 12H-, and 18H-SiC Polytypes", Journal of the Physical Society of Japan, Vol. 81, No. 2 (2012) 024714.
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Total energy - hexagonaliyty of SiC polytypes

PublicationsNIMS affiliated publications since 2004.

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JPS, JSAP, JSCES, SCCJ

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