John Gillespie Jr.

Anderson Janotti


Phone : (302) 831-4781
212 DuPont Hall


Janotti Lab uses computational methods to design and investigate novel materials for a range of applications, including electronics, optoelectronics, energy conversion, efficiency, and storage. Most of our work centers on electronic structure and first-principles methods based on Density Functional Theory. The goal is to advance our understanding of how materials behave at the microscopic level, and how this is translated into macroscopic properties that can be probed experimentally and optimized for the desired applications. Emphasis is given a combined effort of computer simulations and experiments in exploring novel materials and uncovering new physical phenomena. More specifically we are interested in defects and doping of oxide and nitride semiconductors, complex oxides and their heterostructures, half-heusler compounds, novel materials for photovoltaics, and two-dimensional (2D) layered materials.


National Science Foundation Faculty Early Career Development Award, 2017

UCSB Solid State Lighting and Energy Center Outstanding Researcher Achievement, 2012

ITN-RAINBOW – Outstanding Speaker at E-MRS Spring Meeting, 2011

CNPq PhD student scholarship, 1995 – 1999

Research Interests

Research Interests
  • Computational methods in materials physics
  • Electronic structure and density functional theory
  • Renewable energy and energy-efficient materials
  • Charge and heat transport, and spectroscopic phenomena in solids
  • The impact of doping and defects in semiconductors
  • Complex oxides and their heterostructures
  • Metal/semiconductor nanostructures
  • Two dimensional layered materials for electronics

Representative Publications

Selected publications here are chosen from more than 200 papers and 22,000 citations. H-index is 64. 

 Z. Gui and A. Janotti. “Carrier-induced Ferromagnetism in EuTiO3 bulk and heterostructures”, Physical ReviewLetters 123, 127201 (2019).

A. Sharan, Z. Gui, and A. Janotti, “Formation of two-dimensional electron and hole gases at the interface of half- Heusler semiconductors”, Physical Review Materials 3, 061602 (2019).

W. Li, F. P. Sabino, F. Crasto de Lima, T. Wang, R. H. Miwa, and A. Janotti, “Large Disparity Between Optical and Fundamental Band Gaps in Layered In2Se3, Physical Review B 98, 165134 (2019).

S. Khalid, F. P. Sabino, A. Janotti, “Topological phase transition in LaAs under pressure”, Physical Review B 98, 220102 (2018).

T. Wang, W. Li, C. Ni, and A. Janotti, “Band gap and band offset of Ga2O3 and (AlxGa1−x)2O3 alloys”, accepted Physical Review Applied 10, 011003 (2018).

J. K. Kawasaki, A. Sharan, L. I. M. Johansson, M. Hjort, R. Timm, B. Thiagarajan, B. D. Schultz, A. Mikkelsen, A. Janotti, C. J. Palmstrøm, A simple electron counting model for half-Heusler surfaces, Science Advances eaar5832 (2018).

L. Sun, X. Huang, L. Wang, and A Janotti, “Disentangling the Role of Small Polarons and Oxygen Vacancies in CeO2”, Physical Review B 97, 079906 (2017).

J. A. Logan, S. J. Patel, S. D. Harrington, C. M. Polley, B. D. Schultz, T. Balasubramanian, A. Janotti, A. Mikkelsen, and C. J. Palmstrøm, Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films, Nature Communications 7, 11993 (2016). [doi]

C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C. G. Van de Walle. First- principles calculations for point defects in solids. Reviews of Modern Physics 86, 235 (2014). [doi]

A. Janotti and C. G. Van de Walle. Native point defects in ZnO. Physical Review B 76, 165202 (2007).[doi]

A. Janotti and C. G. Van de Walle. Hydrogen multicentre bonds. Nature Materials 6, 44 (2007).[doi]