Ismail-Beigi Research Group

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smail-Beigi Research Group

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Welcome to the Ismail-Beigi Research Group

Our research group studies condensed matter systems, often in the solid state, using first principles or ab initio methods.\\\

Our research group studies condensed matter systems, often in the solid state, using first principles or "ab initio" methods.\\\

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Welcome to the Ismail-Beigi Research Group

• CRISP: Yale's NSF MRSEC center

Welcome to the Ismail-Beigi Research Group

• Yale Applied Physics in the Division of Engineering at Yale University
• Yale Physics and the Condensed Matter Theory Group
• * CRISP: Yale's NSF MRSEC center

Welcome to the Ismail-Beigi Research Group, Yale University

We are part of

 Yale Applied Physics program in the school of Engineering at Yale University. We are also part of the Yale Physics program and the Condensed Matter Theory Group.

We are formally part of the Yale Applied Physics program in the school of Engineering at Yale University. We are also part of the Yale Physics program and the Condensed Matter Theory Group.

• Research program
• CRISP: Yale's NSF-MRSEC center
• Group members
• Projects and collaborators elsewhere
• Useful links: seminars, departments, etc.

Research program

We study the physics of condensed matter systems, usually the solid state, using first principles or ab initio methods. We solve the quantum mechanical many-body problem of interacting electrons and ions to the best of our abilities, with the fewest approximations possible, and with no adjustable parameters or fitting. The cost is that the calculations must be done numerically and can be quite difficult to perform. The advantage is that the results are generally reliable and accurate, and hence can be compared with confidence to experimental findings to help understand, clarify, and even predict observed physical phenomena.

The reliability also implies that we can use ab initio computer modeling as an ideal virtual laboratory to study microscopic physical phenomena. By ideal we mean that the physical setup (atomic positions, boundary conditions, imposed fields, etc.) is specifiable and modifiable at will.

The research work in our group covers a number of areas. Broadly speaking, we are currently working on problems involving (1) electronic excitations, optical properties, and lumiescence, all via first principles methods, (2) properties of nanostructures, especially nanowires and nanotubes, and (3) the physics of transition metal oxides and their interfaces (as part of CRISP.)

Here is a glimpse of topics:

• Electron excitation, optical response, and photoluminescence
  • Solid-state defects: e.g. bulk and GaN
  • molecules
  • GaN nanotubes and nanowires
• Other nanostructures
  • Physics of boron nanotubes and nanowires: structure, electronic states, conductivity, and doping
• Transition metal oxides and their interfaces (part of our CRISP effort)
  • Ab initio Green's function methods for dealing with electron correlations in complex oxides
  • Structure and growth of transition metal oxides on Si (100)

Some other information regarding first principles calculation of quasiparticle (transport, band gaps) and optical properties can be found at the Berkeley CMSN site.

Group members

Current:

• Prof. Sohrab Ismail-Beigi
• Hui Tang, Applied Physics graduate student
• Kevin Garrity, Physics graduate student

Former:

• Yejin Huh: summer 2005 and academic year 2005-2006 Physics undergraduate senior project
• Eli Luberoff: summer 2005 undergraduate researcher (Perspectives in science)
• Madeleine Udell: summer 2006 undergraduate researcher (Perspectives in science)

Projects and collaborators at other institutions

• The DFT++ pages: C++ based open source high performance parallel DFT code
• CMSN page: Computational Materials Sciences Network
• Prof. Tomás Arias at Cornell University.
• Prof. Steven Louie at U.C. Berkeley.
• Prof. Leeor Kronik's group at the Weizmann Institute

Seminars and events

• Monday Evening Seminars
• Solid State and Optics Seminar
• Condensed Matter Physics Seminars
• Physics Club and Yale Physics Department Calendar
• Engineering News and Events

Department and school links

• Yale Condensed Matter Theory Group
• Yale Applied Physics Department
• Physics Department
• School of Engineering
• Yale University

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