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1. Defect and local uniformization

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   Cutkosky, Steven Dale; Mourtada, Hussein (October 2019, Revista de la Real Academia de Ciencias Exactas, Físicas y Naturales. Serie A. Matemáticas)
2. Defect Polaritons from First Principles

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   Wang, Derek S.; Yelin, Susanne F.; Flick, Johannes (September 2021, ACS Nano)
3. Efficient ab initio calculations of electron-defect scattering and defect-limited carrier mobility

   https://doi.org/10.1103/PhysRevMaterials.3.033804  

   Lu, I-Te; Zhou, Jin-Jian; Bernardi, Marco (March 2019, Physical Review Materials)
4. Defect chemistry and doping of BiCuSeO

   https://doi.org/10.1039/D1TA05112A  

   Toriyama, Michael Y.; Qu, Jiaxing; Snyder, G. Jeffrey; Gorai, Prashun (September 2021, Journal of Materials Chemistry A)

   While p-type BiCuSeO is a well-known mid-temperature oxide thermoelectric (TE) material, computations predict that superior TE performance can be realized through n-type doping. In this study, we use first-principles defect calculations to show that Cu vacancies are responsible for the native p-type self doping; yet, we find that BiCuSeO is n-type dopable under Cu-rich growth conditions, where the formation of Cu vacancies is suppressed. We computationally survey a broad suite of 23 dopants and find that only Cl and Br are effective n-type dopants. Therefore, we recommend that future experimental doping efforts utilize phase boundary mapping to optimize the electron concentration and resolve the anomalous p–n–p transitions observed in halogen-doped BiCuSeO. The prospect of n-type doping, as revealed by our defect calculations, paves the path for rational design of BiCuSeO chemical analogues with similar doping behavior and even better TE performance. 

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5. Deformations of surface defect moduli spaces

   https://doi.org/10.1007/JHEP10(2021)035  

   Neitzke, Andrew; Shehper, Ali (October 2021, Journal of High Energy Physics)

   A bstract Given a 4d $$ \mathcal{N} $$ N = 2 superconformal theory with an $$ \mathcal{N} $$ N = (2 , 2) superconformal surface defect, a marginal perturbation of the bulk theory induces a complex structure deformation of the defect moduli space. We describe a concrete way of computing this deformation using the bulk-defect OPE. 

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