Homepage of Marcel H.F. Sluiter

main research collaborations publications other

Assoc. Professor
Laboratory for Advanced Materials (LAM)
Institute for Materials Research (IMR)
2-1-1 Katahira, Aoba-ku, Sendai-shi
980-8577 Japan
tel: +81 22 215 2481
fax: +81 22 215 2052
e-mail: Marcel@imr.edu

class notes 09 Dec. 2004 pdf file maple classic file (allows you to play with parameters etc)

Biography
Born 1960 the Netherlands. 1978-1984 Ingenieurs degree (M.Sc.) cum laude in department of "metaalkunde" (metals science) at Delft University of Technology (Netherlands). 1984-1988 Ph.D. in the department of Materials Science, UC Berkeley (California, USA), thesis research on ab initio prediction of alloy phase diagrams (with Prof. D. de Fontaine). 1989-1993 metallurgist, research associate at LBL and LLNL, working on tight-binding electronic structure, cluster variation, alloy theory. 1994-1995 visiting assoc. prof., IMR, (Sendai, Japan), site preference in complex intermetallics with prof. Y Kawazoe. 1996 associate physicist, BNL (New York, USA) phonons. 1997-present assoc. prof., IMR, (Sendai, Japan), phase stability in complex intermetallics, clathrates and other materials, development of full potential all-electron mixed basis method, development of empirical potentials for modeling hydrocarbons in zeolites.

Research Interests
My main research interest is understanding materials properties and phase stability through simple models. I like to use density functional results and experimental data as a starting point for developing conceptual models. Current projects include:
- LJ type interatomic potentials from density functional calculations for zeolite-hydrocarbon systems (with Prof. S Yashonath, IISc, Bangalore, India)
- alloy phase stability and phase diagrams of Ag-Pt and Au-Pd (with Profs. C. Colinet and A. Pasturel, CNRS, Grenoble, France)
- phase stability in garnets (with Dr V. Vinograd, Univ. Muenster, Germany)
- site preference in Ni7Nb6 mu phase (with Profs. A. Pasturel, CNRS, and S. Fries, Aachen, Germany)
- phase stability of hydrogen hydrate clathrates (with Dr. R. Belosludov and Prof. V. Belosludov, Novosibirsk, Russia)
- crystal version of mixed basis (with Dr. Waghmare, H. Adachi and T. Sato)
- phonons in skutterudites (with Prof. T. Kajitani, Tohoku Univ. Sendai, Japan)
- phase stability in Si-Ge (with Assoc. Prof. I. Yonenaga, IMR)
- defect spectroscopy in Si (with Dr. T. Nishimatsu)
- TM doped ZnO (with Dr. Waghmare, JNCASR, Bangalore, India)
- Piezo/ferro electricity in BaTi2O5 (with Dr. Waghmare, JNCASR, Bangalore, India and Prof. T. Goto, IMR)
- Phase Stability in NaxBi1-xTiO3 (with Dr. B. Burton, NIST)
- hyperfine interactions in the mixed basis method (with S. Bahramy)


[Supercomputer] [Kawazoe Lab.] [IMR Homepage] [web mail]


1: to/from Japanese translation: I recommend http://www.excite.co.jp/world/url/


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