Dr. Mehmet Dogan, prior graduate student in the group, set a record for present or prior group members (including Sohrab) by publishing three papers on oxide interfaces in...
A joint work by experiment and theory on the structure of 2D borophone (monolayer of boron) on Cu (111). This represents significant progress for the borophone field since...
A joint theory and experiment work on mobility control and enhancement of 2D electron gases at oxide/semiconductor interfaces. Published in Physical Review Materials DOI 10....
Defects that break crytalline symmetry can suppress the topological surface states of the topological crytalline insulator (TCI) SnTe. This paper presents experiment and...
The Yale-IBM-UIUC OpenAtom collaboration has released its for massively parallel GW implementation using the UIUC-developed charm++ parallel runtime system (middleware). The...
We are happy to announce the public release of the slave-boson code “BoSS” (Boson Slave Solver) today! This is a free software avaialble to you to perform slave-boson...
The paper “Nature of Lone-Pair–Surface Bonds and Their Scaling Relations” is out! It describes how an important class of molecules with active 2p lone pair electrons (water,...
A record mobility change at the LaNiO3 / Pb(Zr0.5Ti0.5)O3 is designed theoretically and observed experimentally. The structural modifications of the interface drive the...
A ZrO2 monolayer on Si (001) is shown to be ferroelectric using first principles theory as well as experiment. This represents a new class of ferroelectrics and the thinnest...
Alexandru’s nice work explaining why it has been difficult to get symmetry breaking in slave-boson theories as well as how to fix this problem is now out. A nice work...
This Nature Materials Review outlines the growing importance of picometer scale structural motifs for control and design of functional materials. The picoscale is the...
How do we choose the “best” non-interacting description of an interacting electron system in a rigorous manner? This work shows that the quasiparticle self-consistent...
Subhasish’s work on DFT+DMFT to understand the strength and effects on electronic correlations on the electronic properties of monolayer FeSe on SrTiO3. Work was done...
Mehmet’s work on the BaTiO3/Ge epitaxial interface published. This detailed work describes multiple interfacial structures, the polarization profiles in the BaTiO3,...
Alexandru and Mehmet officially received their Physics Ph.D. degrees today so we did the dressup routine. Congratulations to both!
In collaboration with Prof. Robert’s Klie group at UIC and Charles Ahn’s group at Yale, the real-space electronic structure of titante/nickelate interfaces...
Congratulations to Drs. Alexandru B. Georgescu and Mehmet Dogan who defended their Ph.D.s successfully on March 1st and March 7th, respectively.
SnTe is a topological crystalline insulator. This paper describes growth of films on SrTiO3 substrates and characterization including STM (which is compared to theory). ...
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...
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...
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...
Paper on “Polarization-driven catalysis via ferroelectric oxide surfaces” published in Physical Chemistry Chemical Physics DOI 10.1039/C6CP03170F . Describes NO direct...
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...
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...
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...
Water splitting using ferroelectrics! Published in Journal of Materials Chemistry A. Title and hyperlink “Ferroelectric oxide surface chemistry: water splitting via...
Published in Physical Review Letters: “Engineered Unique Elastic Modes at a BaTiO3/Ge(001) Interface”. Here, we show how the interface itself can imprint atomic-scale...
Congratulations to Alexandru to winning the 2016 D. Allan Bromley Graduate Fellowship in Physics. See the news article link about it.
In order to tackle the effects of local physics (correlations) in large-scale calculations involving complex oxide interfaces and surfaces, we’ve generalized previous slave-...
