Sohrab Ismail-Beigi

About

Sohrab Ismail-Beigi is the Strathcona Professor of Applied Physics & Materials Science at Yale Engineering, with additional appointments in Mechanical Engineering and Physics. His research group employs first principles computational methods to investigate fundamental questions in condensed materials theory and materials physics. His work encompasses a broad range of topics including semiconductor-oxide interfaces, growth strategies and structures, electronic, chemical, and mechanical properties of nanomaterials such as nanotubes, nanowires, 2D systems, and clusters, as well as the development of improved exchange and correlation models for complex oxides. His research also explores optical properties of nanostructures, photo-induced structural changes, and the chemistry and catalysis at transition metal oxide surfaces and interfaces. Dr. Ismail-Beigi has contributed to understanding and engineering interfaces for technological applications, and his work has been published in numerous scientific journals. He holds a Ph.D. from the Massachusetts Institute of Technology and is actively involved in advancing the field of materials physics through his research and academic leadership at Yale.

Selected publications

• Designing and controlling the properties of transition metal oxide quantum materials

  Nature Materials · 2021 · 97 citations

  DOI

• Micrometre-scale single-crystalline borophene on a square-lattice Cu(100) surface

  Nature Chemistry · 2022-01-31 · 87 citations

  articleOpen access
  PublisherOA PDFDOI

• Piezoelectric ferromagnetism in two-dimensional materials via materials screening

  Physical review. B./Physical review. B · 2022-10-20 · 18 citations

  articleSenior author

  We predict that monolayer ${\mathrm{FeCl}}_{2}$ is a two-dimensional piezoelectric ferromagnet (PFM) with easy-axis magnetism and a Curie temperature of 260 K. Our ab initio calculations combined with data mining reveal 2H-${\mathrm{FeCl}}_{2}$ as the only easy-axis 2D monolayer PFM, and that its magnetic anisotropy increases many-fold with moderate hole doping. We develop an analysis based on magnetic anisotropies densities that explain the magnetic and doping-dependent behavior of ${\mathrm{Fe…

  PublisherDOI

• Magnetism and Piezoelectricity in Stable Transition Metal Silicate Monolayers

  arXiv (Cornell University) · 2020-11-25 · 16 citations

  articleOpen accessSenior author

  Two-dimensional van der Waals (2D vdW) materials that display ferromagnetism and piezoelectricity have received increased attention. Despite numerous 2D materials have so far been reported as ferromagnetic, developing an air stable and transferable vdW material that is multiferroic has been challenging. To address this problem, we report our work on layered transition metal silicates that are derivatives of kaolinites and lizardites with transition metal substituting on Al$^{3+}$ and Mg$^{2+}$ s…

  PublisherOA PDFDOI

• First-Principles Prediction of Structural Distortions in the Cuprates and Their Impact on the Electronic Structure

  Physical Review X · 2024-12-02 · 3 citations

  articleOpen accessSenior author

  Materials-realistic microscopic theoretical descriptions of copper-based superconductors are challenging due to their complex crystal structures combined with strong electron interactions. Here, we demonstrate how density functional theory can accurately describe key structural, electronic, and magnetic properties of the normal state of the prototypical cuprate <a:math xmlns:a="http://www.w3.org/1998/Math/MathML" display="inline"><a:mrow><a:msub><a:mrow><a:mi>Bi</a:mi></a:mrow><a:mrow><a:mn>2</a…

  PublisherDOI

Awards & honors

• US Patent App. No.: PCT/US2010/002642 (2010)

Similar researchers at Yale University

• Liangbing Huh-172
• Gary Brudvigh-103
• Hailiang Wangh-91