Welcome | Ismail-Beigi Research Group

Web Name: Welcome | Ismail-Beigi Research Group

WebSite: http://volga.eng.yale.edu





Graduate student and postdoctoral openings: (updated March 10, 2020)At the moment the group is in flux: the number of members this summer is small but we plan to expand soon with new hires coming on board.  At present, all postdoctoral positions that were open have been filled.  Graduate student admissions are now done (since February 2020) with the incoming graduate student class sizes determined. We will post a note here if there are openings; generally, this status changes on a 6-12 month time scale. Public software releases:1. BoSS slave-boson code released July 13 2018. 2. OpenAtom GW code released September 3 2018.Our research group studies condensed matter systems, often in the solid state, using first principles or ab initio electronic structure methods. We are part ofYale Applied Physics at Yale UniversityYale Physics and the Condensed Matter Theory GroupCRISP: Yale s NSF MRSEC centerWe 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. Borophene on Cu (111) published in Nature Nanotechnology December 3, 2018 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... Controlling 2D electron gases at perovskite oxide/Si interfaces paper published November 26, 2018 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.... Nonscale suppression of topological surface states on SnTe paper published November 20, 2018 Defects that break crytalline symmetry can suppress the topological surface states of the topological crytalline insulator (TCI) SnTe.  This paper presents experiment and... OpenAtom GW software released and preprint September 3, 2018 The Yale-IBM-UIUC OpenAtom collaboration has released its for massively parallel GW implementation using the UIUC-developed charm++ parallel runtime system (middleware).  The... Mobility modulation by interfacial structure published December 18, 2017 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... Single Atomic Layer Ferroelectric on Silicon published December 15, 2017 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...

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