2012.12 - 2015.11   Friedrich-Schiller-Universität Jena   Researcher   Germany

2001.04 - 2012.02   Friedrich-Schiller-Universität Jena   Researcher   Germany

Step Structures and Adatom Diffusion on SiC Surfaces Invited Reviewed

SEINO Kaori

Vacuum and Surface Science ( The Japan Society of Vacuum and Surface Science )   66 ( 4 )   239 - 244   2023.04

Microscopic mechanism of adatom diffusion on stepped SiC surfaces revealed by first-principles calculations Reviewed International journal

Seino K., Oshiyama A.

Applied Surface Science   561   149927   2021.09

Microscopic identification of surface steps on SiC by density­functional calculations Reviewed International journal

Seino K., Oshiyama A.

Materials Science Forum   1004 MSF   145 - 152   2020.01

Temperature stabilizes rough Au/Ge(001) surface reconstructions Reviewed International journal

Seino K., Sanna S., Schmidt W.

Surface Science   667   101 - 104   2018.01

Coverage-dependent geometries of nanowires on Ge(0 0 1)-Au surfaces: Modification of trenches Reviewed International journal

Seino K., Bechstedt F.

Journal of Physics Condensed Matter   28 ( 28 )   2016.05

Metal-to-Insulator Transition in Au Chains on Si(111)-5×2-Au by Band Filling: Infrared Plasmonic Signal and Ab Initio Band Structure Calculation Reviewed International journal

Hötzel F., Seino K., Chandola S., Speiser E., Esser N., Bechstedt F., Pucci A.

Journal of Physical Chemistry Letters   6 ( 18 )   3615 - 3620   2015.08

Metallic Properties of the Si(111) - 5 × 2 - Au Surface from Infrared Plasmon Polaritons and Ab Initio Theory Reviewed International journal

Hötzel F., Seino K., Huck C., Skibbe O., Bechstedt F., Pucci A.

Nano Letters   15 ( 6 )   4155 - 4160   2015.06

First-principles calculations of energetics and electronic structure for reconstructed Si(111)-(5×n)-Au surfaces Reviewed International journal

Seino K., Bechstedt F.

Physical Review B - Condensed Matter and Materials Physics   90 ( 16 )   2014.10

Tunneling of electrons between Si nanocrystals embedded in a SiO <inf>2</inf> matrix Reviewed International journal

Seino K., Bechstedt F., Kroll P.

Physical Review B - Condensed Matter and Materials Physics   86 ( 7 )   2012.08

Influence of separation of Si nanocrystals embedded in a SiO <inf>2</inf> matrix on electronic and optical properties Reviewed International journal

Seino K., Bechstedt F., Kroll P.

Materials Science and Engineering B: Solid-State Materials for Advanced Technology   177 ( 13 )   1098 - 1102   2012.08

Effective density of states and carrier masses for Si/SiO<inf>2</inf> superlattices from first principles Reviewed International journal

Seino K., Bechstedt F.

Semiconductor Science and Technology   26 ( 1 )   2011.01

Band alignment at a nonplanar Si/SiO<inf>2</inf> interface Reviewed International journal

Seino K., Bechstedt F., Kroll P.

Physical Review B - Condensed Matter and Materials Physics   82 ( 8 )   2010.08

Efficiency limits of Si/ SiO<inf>2</inf> quantum well solar cells from first-principles calculations Reviewed International journal

Kirchartz T., Seino K., Wagner J., Rau U., Bechstedt F.

Journal of Applied Physics   105 ( 10 )   2009.06

Influence of SiO<inf>2</inf> matrix on electronic and optical properties of Si nanocrystals Reviewed International journal

Seino K., Bechstedt F., Kroll P.

Nanotechnology   20 ( 13 )   2009.05

Ab initio calculation of optical absorption and reflectivity of Si(0 0 1)/SiO <inf>2</inf> superlattices with varying interfaces Reviewed International journal

Seino K., Wagner J., Bechstedt F.

Applied Surface Science   255 ( 3 )   787 - 789   2008.11

Electronic band gap of Si/SiO<inf>2</inf> quantum wells: Comparison of ab initio calculations and photoluminescence measurements Reviewed International journal

Wagner J.M., Seino K., Bechstedt F., Dymiati A., Mayer J., Rölver R., Först M., Berghoff B., Spangenberg B., Kurz H.

Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films   25 ( 6 )   1500 - 1504   2007.11

Quantum conductance of In nanowires on Si(1 1 1) from first principles calculations Reviewed International journal

Wippermann S., Schmidt W., Calzolari A., Nardelli M., Stekolnikov A., Seino K., Bechstedt F.

Surface Science   601 ( 18 )   4045 - 4047   2007.09

Quasiparticle effect on electron confinement in Si/SiO<inf>2</inf> quantum-well structures Reviewed International journal

Seino K., Wagner J.M., Bechstedt F.

Applied Physics Letters   90 ( 25 )   2007.08

Anomalous water optical absorption: Large-scale first-principles simulations Reviewed International journal

Schmidt W.G., Blankenburg S., Wippermann S., Hermann A., Hahn P.H., Preuss M., Seino K., Bechstedt F.

High Performance Computing in Science and Engineering 2006 - Transactions of the High Performance Computing Center Stuttgart, HLRS 2006   49 - 58   2007.01

Hexagon versus trimer formation in in nanowires on Si(111): Energetics and quantum conductance Reviewed International journal

Stekolnikov A., Seino K., Bechstedt F., Wippermann S., Schmidt W., Calzolari A., Nardelli M.

Physical Review Letters   98 ( 2 )   2007.01

Organic molecule adsorption on solid surfaces: Chemical bonding, mutual polarisation and dispersion interaction Reviewed International journal

Schmidt W., Seino K., Preuss M., Hermann A., Ortmann F., Bechstedt F.

Applied Physics A: Materials Science and Processing   85 ( 4 )   387 - 397   2006.12

Si(0 0 1) c(4 × 2)-p(2 × 2) surface phase transitions induced by electric fields and doping Reviewed International journal

Schmidt W., Seino K.

Current Applied Physics   6 ( 3 )   331 - 333   2006.06

Ga-rich GaAs(001) surface from ab initio calculations: Atomic structure of the (4x6) and (6x6) reconstructions Reviewed International journal

Seino K., Schmidt W., Ohtake A.

Physical Review B - Condensed Matter and Materials Physics   73 ( 3 )   2006.03

Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl Reviewed International journal

Bechstedt F., Seino K., Hahn P., Schmidt W.

Physical Review B - Condensed Matter and Materials Physics   72 ( 24 )   2005.12

Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN Reviewed International journal

Hahn P., Seino K., Schmidt W., Furthmüller J., Bechstedt F.

Physica Status Solidi (B) Basic Research   242 ( 13 )   2720 - 2728   2005.11

Conformation-selective adsorption of 2,3-butanediol on Si(0 0 1) Reviewed International journal

Seino K., Schmidt W.

Surface Science   585 ( 3 )   191 - 196   2005.07

Optical absorption of water: Coulomb effects versus hydrogen bonding Reviewed International journal

Hahn P., Schmidt W., Seino K., Preuss M., Bechstedt F., Bernholc J.

Physical Review Letters   94 ( 3 )   2005.01

Ga-rich limit of surface reconstructions on GaAs(001): Atomic structure of he (4 × 6) phase Reviewed International journal

Ohtake A., Koćan P., Seino K., Schmidt W., Koguchi N.

Physical Review Letters   93 ( 26 I )   2004.12

H<inf>2</inf>O on Si(001): Surface optical anisotropy from first-principles calculations Reviewed International journal

Seino K., Schmidt W.

Surface Science   571 ( 1-3 )   157 - 160   2004.11

Oxidation- And organic-molecule-induced changes of the Si surface optical anisotropy: Ab initio predictions Reviewed International journal

Schmidt W., Fuchs F., Hermann A., Seino K., Bechstedt F., Paßmann R., Wahl M., Gensch M., Hinrichs K., Esser N., Wang S., Lu W., Bernholc J.

Journal of Physics Condensed Matter   16 ( 39 )   2004.10

Energetics of Si(001) surfaces exposed to electric fields and charge injection Reviewed International journal

Seino K., Schmidt W.G., Bechstedt F.

Physical Review Letters   93 ( 3 )   2004.07

Methylchloride adsorbed on Si(0 0 1): An ab initio study Reviewed International journal

Preuss M., Schmidt W., Seino K., Bechstedt F.

Applied Surface Science   234 ( 1-4 )   155 - 161   2004.07

Organic modification of surface electronic properties: A first-principles study of uracil on Si(001) Reviewed International journal

Seino K., Schmidt W., Bechstedt F.

Physical Review B - Condensed Matter and Materials Physics   69 ( 24 )   2004.06

Calculation of surface optical properties: From qualitative understanding to quantitative predictions Reviewed International journal

Schmidt W., Seino K., Hahn P., Bechstedt F., Lu W., Wang S., Bernholc J.

Thin Solid Films   455-456   764 - 771   2004.05

Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials Reviewed International journal

Preuss M., Schmidt W., Seino K., Furthmüller J., Bechstedt F.

Journal of Computational Chemistry   25 ( 1 )   112 - 122   2004.01

Reflectance anisotropy of uracil covered Si(0 0 1) surfaces: Ab initio predictions Reviewed

Seino K., Schmidt W.

Surface Science   548 ( 1-3 )   183 - 186   2004.01

Chemisorption of pyrrole (C<inf>4</inf>H<inf>4</inf>NH) on Si(0 0 1) calculated from first-principles Reviewed International journal

Seino K., Schmidt W., Furthmüller J., Bechstedt F.

Surface Science   532-535   988 - 992   2003.06

Uracil adsorbed on Si(001): Structure and energetics Reviewed International journal

Seino K., Schmidt W.G., Preuss M., Bechstedt F.

Journal of Physical Chemistry B   107 ( 21 )   5031 - 5035   2003.05

Pyrrole (C<inf>4</inf>H<inf>4</inf>NH) and polypyrrole functionalized silicon surfaces calculated from first principles Reviewed International journal

Schmidt W.G., Seino K.

Surface Review and Letters   10 ( 2-3 )   221 - 226   2003.04

Structure and energetics of Ga-rich GaAs(0 0 1) surfaces Reviewed International journal

Seino K., Schmidt W., Bechstedt F., Bernholc J.

Surface Science   507-510   406 - 410   2002.06

Theoretical investigation of migration of group V adatoms on GaAs(0 0 1) surface Reviewed International journal

Seino K., Ishii A., Aisaka T.

Journal of Crystal Growth   237-239 ( 1-4 I )   121 - 124   2002.04

Role of As<inf>2</inf> molecules on Ga-terminated GaAs(0 0 1) surfaces during the MBE growth Reviewed International journal

Ishii A., Seino K., Aisaka T.

Journal of Crystal Growth   236 ( 4 )   511 - 515   2002.03

Chemisorption of pyrrole and polypyrrole on Si(001) Reviewed International journal

Seino K., Schmidt W., Furthmüller J., Bechstedt F.

Physical Review B - Condensed Matter and Materials Physics   66 ( 23 )   1 - 8   2002.01

Theoretical study on the nucleation of Ag on Ge(0 0 1) surface Reviewed International journal

Seino K., Ishii A.

Surface Science   493 ( 1-3 )   420 - 425   2001.11

Surface structure of low-coverage Ag on Ge(001) surface using first-principles calculations Reviewed International journal

Seino K., Ishii A.

Surface Science   467 ( 1-3 )   177 - 184   2000.11

First-principle calculation of migration processes of as during growth on GaAs(001) Reviewed International journal

Seino K., Ishii A., Kawamura T.

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers   39 ( 7 B )   4285 - 4288   2000.01

Migration process on Ga-terminated GaAs(001) surface during molecular beam epitaxial growth Reviewed International journal

Seino K., Ishii A., Aisaka T.

Progress of Theoretical Physics Supplement   ( 138 )   164 - 165   2000.01

Arsenic adatom migration on a GaAs(100) surface using a first-principles calculation Reviewed International journal

Seino K., Ishii A., Aisaka T.

Surface Science   438 ( 1-3 )   43 - 46   1999.09

MgをドープしたGaNにおける水素の挙動の第一原理計算

佐々木雄真、制野かおり

2025年度金属系学会九州支部合同学術講演会  2025.05  日本金属学会九州支部 日本鉄鋼協会九州支部 軽金属学会九州支部

First-principles calculations on defect energetics and diffusion mechanism of Mg impurity in GaN

K. Seino, K. Shiraishi and A. Oshiyama

The 14th International Conference on Nitride Semiconductors (ICNS-14)  2023.11 

Surface steps on Si-terminated SiC(111)-√3 x√3 surfaces: A first-principles calculation

Kaori Seino, Atsushi Oshiyama

Annual Meeting of the Japan Society of Vacuum and Surface Science 2023  2023.10  The Japan Society of Vacuum and Surface Science

第一原理計算によるSiC表面ステップの電子状態解析

制野 かおり、押山 淳

令和 5 年度日本表面真空学会 九州支部学術講演会  2023.06  日本表面真空学会 九州支部