Assistant Professor
Department of Physics
Education
M.Sc. Physics (University of Buenos Aires, 1997)
Ph.D. Physics (University of Buenos Aires, 2002)
Post-doctoral Research:
Scuseria Group (Department of Chemistry, Rice University, 2002-2007)
Awards and Honors:
IBM-Löwdin Fellowship Award for Postdoctoral Associates, Sanibel Symposium (2005).
Welch Postdoctoral Fellow, Rice University (2002-2003).
Graduate Research Fellow, Argentine National Council of Scientific and Technologic Research (1997-2002).
Contact Information
213 Dow Hall
Phone: (989) 774-3375
Fax: (989)-774-2697
e-mail: juan.peralta |at| cmich.edu
http://www.phy.cmich.edu/people/peralta/
Research Fields
Electronic structure of magnetic materials:
We use and develop computational tools for the calculation of magnetic properties using density functional theory.
Target properties include exchange parameters, magnetic anisotropy, NMR, etc.
Electronic properties of nanomaterials:
We model the electronic structure of a variety of
nanoscale materials with the goal of understanding and predicting their properties.
The goal of our research is the study of magnetic materials and electronic phenomena
at the nanometer scale, using first-principles computational tools.
These are challenging and growing fields in which theoretical predictions play a fundamental role.
The ultimate purpose will be to develop and explore novel theoretical and computational methods
and use them to gain chemical and physical insight into the properties of new materials,
as well as to provide a guidance for future experiments.
Current Research Projects
Explore the use of transition metals other than the commonly employed iron, manganese, and vanadium, and study how the magnetic transition states of single-molecule magnets change upon chemical functionalization and structural deformations.
Analyze how the properties and stability of magnetic nanoparticles depend on particle size and geometry.
Characterization of the conductance of single molecules, aiming to use them as interconnects, transistors, or switches.
Many other ongoing projects.
Selected Publications
J. E. Peralta, G. E. Scuseria, and M. J. Frisch, "Noncollinear Magnetism in Density Functional Calculations," Phys. Rev. B 75, 125119 (2007). article
O. Hod, J. E. Peralta, and G. E. Scuseria, "First-Principles Electronic Transport Calculations in Finite Extended Systems: A Divide and Conquer Approach," J. Chem. Phys. 125, 114704 (2006). article
J. E. Peralta, J. Uddin, and G. E. Scuseria, "Scalar Relativistic All-Electron Density Functional Calculations on Periodic Systems," J. Chem. Phys. 122, 084108 (2005). article
J. E. Peralta, V. Barone, G. E. Scuseria and R. H. Contreras, "Density Functional Theory Calculation of Indirect Nuclear Magnetic Resonance Spin-Spin Coupling Constants in C-70," J. Am. Chem. Soc. 126, 7428 (2005). article
V. Barone, J. E. Peralta, and G. E. Scuseria, "Optical Transitions in Metallic Single-Walled Carbon Nanotubes," Nano Lett. 5, 1830 (2005). article
More publications:
click here
Figure below:
Spin density plot for Cr3 obtained from a noncollinear density functional calculation.
The arrows show the direction of the spin magnetization in the plane containing the Cr nuclei,
whereas the modulus of the spin density is represented in red.
The scheme below represents the atomic magnetization according to the classical Heisenberg model. It resembles the electronic ground-state magnetization from a noncollinear density functional calculation.
