Selected Publications

2017

Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams
Das, T., & Schuller, J. A. (2017). Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B, 95, 201111. https://doi.org/10.1103/PhysRevB.95.201111 (Original work published 05/2017 C.E.)
Deep donor state of the copper acceptor as a source of green luminescence in ZnO
Lyons, J. L., Alkauskas, A., Janotti, A., & Van de Walle, C. G. (2017). Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters, 111, 042101. https://doi.org/10.1063/1.4995404 (Original work published 07/2017 C.E.)
Dynamically reconfigurable integrated optical circulators
Huang, D., Pintus, P., Zhang, C., Morton, P., Shoji, Y., Mizumoto, T., & Bowers, J. E. (2017). Dynamically reconfigurable integrated optical circulators. Optica, 4, 23\textendash30. https://doi.org/10.1364/OPTICA.4.000023 (Original work published 01/2017 C.E.)
Edge mode amplification in disordered elastic networks
Yan, L., Bouchaud, J. -P., & Wyart, M. (2017). Edge mode amplification in disordered elastic networks. Soft Matter, 13, 5795\textendash5801. (Original work published 07/2017 C.E.)
Electrical compensation mechanism in fluorine-doped SnO2
Kang, Y., & Van de Walle, C. G. (2017). Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters, 111, 152107. (Original work published 10/2017 C.E.)
Electronic and protonic conduction in LaFeO 3
Zhu, Z., Peelaers, H., & Van de Walle, C. G. (2017). Electronic and protonic conduction in LaFeO 3. Journal Of Materials Chemistry A. https://doi.org/10.1039/C7TA04330A (Original work published 07/2017 C.E.)
Excited State Dynamics of 6-Thioguanine
Siouri, F. M., Boldissar, S., Berenbeim, J., & De Vries, M. S. (2017). Excited State Dynamics of 6-Thioguanine. The Journal Of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.7b03036 (Original work published 06/2017 C.E.)
Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics
Berenbeim, J. A., Boldissar, S., Siouri, F. M., Gate, G., Haggmark, M. R., Aboulache, B., et al. (2017). Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal Of Physical Chemistry Letters, 8, 5184\textendash5189. (Original work published 10/2017 C.E.)
The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials
Thomas, J. C., & Van der Ven, A. (2017). The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials. Journal Of The Mechanics And Physics Of Solids, 107, 76\textendash95. https://doi.org/10.1016/j.jmps.2017.06.009 (Original work published 10/2017 C.E.)
A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration
Kirchhofer, N. D., Rengert, Z. D., Dahlquist, F. W., Nguyen, T. -Q., & Bazan, G. C. (2017). A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem, 2, 240\textendash257. https://doi.org/10.1016/j.chempr.2017.01.001 (Original work published 02/2017 C.E.)
First-principles analysis of electron transport in BaSnO 3
Krishnaswamy, K., Himmetoglu, B., Kang, Y., Janotti, A., & Van de Walle, C. G. (2017). First-principles analysis of electron transport in BaSnO 3. Physical Review B, 95, 205202. https://doi.org/10.1103/PhysRevB.95.205202 (Original work published 05/2017 C.E.)
First-principles characterization of native-defect-related optical transitions in ZnO
Lyons, J. L., Varley, J. B., Steiauf, D., Janotti, A., & Van de Walle, C. G. (2017). First-principles characterization of native-defect-related optical transitions in ZnO. Journal Of Applied Physics, 122, 035704. https://doi.org/10.1063/1.4992128 (Original work published 07/2017 C.E.)
First-principles investigation of phase stability in the Mg-Sc binary alloy
Natarajan, A. R., & Van der Ven, A. (2017). First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B, 95, 214107. https://doi.org/10.1103/PhysRevB.95.214107 (Original work published 06/2017 C.E.)
First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers
Su, G. M., Patel, S. N., Pemmaraju, C. D., Prendergast, D., & Chabinyc, M. L. (2017). First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal Of Physical Chemistry C, 121, 9142\textendash9152. https://doi.org/10.1021/acs.jpcc.7b01353 (Original work published 04/2017 C.E.)
Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime
Delgadillo, R., Yang, X., & Zhang, J. (2017). Frozen Gaussian Approximation-Based Artificial Boundary Conditions for One-Dimensional Nonlinear Schrödinger Equation in the Semiclassical Regime. Journal Of Scientific Computing, 1\textendash20. (Original work published 11/2017 C.E.)
Fundamental limits on the electron mobility of $\beta$-Ga2O3
Kang, Y., Krishnaswamy, K., Peelaers, H., & Van de Walle, C. G. (2017). Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal Of Physics: Condensed Matter, 29, 234001. https://doi.org/10.1088/1361-648X/aa6f66 (Original work published 05/2017 C.E.)
Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data
Shelton, E., Serwane, F., & As, O. C. \. (2017). Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal Of Microscopy, 269, 259\textendash268. (Original work published 09/2017 C.E.)
Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles
Schmidt, B. V. K. J., Wang, C. X., Kraemer, S., Connal, L. A., & Klinger, D. (2017). Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles. Polymer Chemistry. (Original work published 11/2017 C.E.)
Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units
Wang, M., Ford, M. J., Lill, A. T., Phan, H., Nguyen, T. -Q., & Bazan, G. C. (2017). Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials, 29. https://doi.org/10.1002/adma.201603830 (Original work published 01/2017 C.E.)
Hole polarons and p-type doping in boron nitride polymorphs
Weston, L., Wickramaratne, D., & Van de Walle, C. G. (2017). Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B, 96, 100102. (Original work published 09/2017 C.E.)