Arthur Freeman Arthur Freeman
Charles E. and Emma H. Morrison Professor
PhD, Massachusetts Institute of Technology, 1956

Guggenheim Fellow
Fulbright Fellow
Alexander von Humboldt Fellow
Fellow, American Association for the Advancement of Science
Winner, International Medal of the Materials Research Society
Winner, Magnetism Award of the International Union of Pure and Applied Research
Editor, Journal of Magnetism and Magnetic Materials

Professor Freeman's research interests lie in developing computational methods and programs for carrying out first-principles modeling/simulations of complex materials and phenomena.  A pioneer in computational physics and computational materials science, his first-principles approaches (i.e., without adjustable parameters) based on the local density approximation, have provided a universal method for treating all materials.  Applications of his FLAPW method are focused on the structural, electronic, magnetic, optical and mechanical properties of metals, semiconductors, insulators, large molecular clusters, complex bulk compounds and alloys, low-dimensional systems (surfaces, thin films and multilayers) and defects (impurities, vacancies, faults, grain boundaries and dislocations).  Very recently he and his colleagues have parallelized the FLAPW code on the Cray T3E and the IBM SP4 computers and have demonstrated very good scaling with up to 512 processors.  Freeman is the 13th most cited physicist in the ISI listing of over 512,000 physicists worldwide.

Selected Publications

M. S. Park, S. H. Rhim, and A. J. Freeman AJ
Charge Compensation and Mixed Valency in LaAlO3/SrTiO3 Heterointerfaces Studied by the FLAPW Method
Physical Review B74, 205416 (2006)

S. E. Koh, B. Delley, J. E. Medvedeva, et al.
Quantum Chemical Analysis of Electronic Structure and n- and p-Type Charge Transport in Perfluoroarene-Modified Oligothiophene Semiconductors
J. Phys. Chem. B110, 24361 (2006)

N. I. Medvedeva, Y. N. Gornostyrev, and A. J. Freeman
Electronic Origin of Solid Solution Softening in bcc Molybdenum Alloys
Physical Review Letters 94, 136402 (2005)

J. E. Medvedeva, A. J. Freeman, X. Y. Cui, et al.
Half-Metallicity and Efficient Spin Injection in AlN/GaN : Cr(0001) Heterostructure
Physical Review Letters 94, 146602 (2005)