Welcome

Graduate student and postdoctoral openings: (updated July 27, 2017)
At the moment the group is at maximum capacity. All postdoctoral positions have been filled.  We will post a note here if there are openings to that effect.  Generally, this status changes on a 6-12 month time scale.
 
Our research group studies condensed matter systems, often in the solid state, using first principles or ab initio electronic structure methods. We are part of
  • Yale Applied Physics at Yale University
  • Yale Physics and the Condensed Matter Theory Group
  • CRISP: Yale’s NSF MRSEC center
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 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.
 

News

March 7, 2017
Congratulations to Drs. Alexandru B. Georgescu and Mehmet Dogan who defended their Ph.D.s successfully on March 1st and March 7th, respectively.
January 9, 2017
SnTe is a topological crystalline insulator.  This paper describes growth of films on SrTiO3 substrates and characterization including STM (which is compared to theory).  ...
December 1, 2016
Amazingly, SiO2 can be made into a stable 2D material!  Here, we mainly study how strain affects the structure of 2D silica and how counter-ions also affect structural...
September 30, 2016
PRL published on RIXS studies of charge-transfer interfaces of nickelates.  Most of the large orbital polarization stems from anisotropic hybridization of Ni and O orbitals...
July 18, 2016
Magnesium doped boron nanotubes can show a very unusual and unique property of having negative curvature energy: a small diameter nanotube can have lower energy per atom than...
Polarization-driven catalysis via ferroelectric oxide surfaces paper published
July 6, 2016
Paper on “Polarization-driven catalysis via ferroelectric oxide surfaces” published in Physical Chemistry Chemical Physics DOI 10.1039/C6CP03170F . Describes NO direct...
June 8, 2016
After many productive years, Arvin graduated from Yale this May (2016) and, Ph.D. in hand, headed to Stanford University for a postdoctoral position in Prof. Jens Norskov...
May 16, 2016
A highly collaborative work on the importance of the double TiO2 termination of SrTiO3 vis a vis the properties of the fascinating monolayer FeSe superconductor. DOI 10.1103...
April 16, 2016
Arvin’s talk and paper on using ferroelectric surfaces to split water got some media attention.  The APS asked him to give a short presentation about his work to...
Pyroelectric cycle to split water
March 29, 2016
Water splitting using ferroelectrics!  Published in Journal of Materials Chemistry A.  Title and hyperlink “Ferroelectric oxide surface chemistry: water splitting via...