Publications

Export 675 results:
2017
Lyons JL, Van de Walle CG.  2017.  Computationally predicted energies and properties of defects in GaN. NPJ Computational Materials. 3:1.
Peelaers H, Chabinyc ML, Van de Walle CG.  2017.  Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
Coleman MSB.  2017.  Convection Affects Magnetic Turbulence in White Dwarf Accretion Disks.
Coleman MSB, Yerger E, Blaes O, Salvesen G, Hirose S.  2017.  Convective quenching of field reversals in accretion disc dynamos. Monthly Notices of the Royal Astronomical Society. 467:2625–2635.
Das T, Schuller JA.  2017.  Dark modes and field enhancements in dielectric dimers illuminated by cylindrical vector beams. Physical Review B. 95:201111.
Lyons JL, Alkauskas A, Janotti A, Van de Walle CG.  2017.  Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters. 111:042101.
Huang D, Pintus P, Zhang C, Morton P, Shoji Y, Mizumoto T, Bowers JE.  2017.  Dynamically reconfigurable integrated optical circulators. Optica. 4:23–30.
Yan L, Bouchaud J-P, Wyart M.  2017.  Edge mode amplification in disordered elastic networks. Soft matter. 13:5795–5801.
Kang Y, Van de Walle CG.  2017.  Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
Siouri FM, Boldissar S, Berenbeim J, De Vries MS.  2017.  Excited State Dynamics of 6-Thioguanine. The Journal of Physical Chemistry A.
Berenbeim JA, Boldissar S, Siouri FM, Gate G, Haggmark MR, Aboulache B, Cohen T, De Vries MS.  2017.  Excited-State Dynamics of Isocytosine: A Hybrid Case of Canonical Nucleobase Photodynamics. The Journal of Physical Chemistry Letters. 8:5184–5189.
Thomas JC, 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. 107:76–95.
Kirchhofer ND, Rengert ZD, Dahlquist FW, Nguyen T-Q, Bazan GC.  2017.  A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.
Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG.  2017.  First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.
Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG.  2017.  First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
Natarajan ARaju, Van der Ven A.  2017.  First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.
Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML.  2017.  First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.
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. :1–20.
Kang Y, Krishnaswamy K, Peelaers H, Van de Walle CG.  2017.  Fundamental limits on the electron mobility of $\beta$-Ga2O3. Journal of Physics: Condensed Matter. 29:234001.
Shelton E, Serwane F, CampÀs O.  2017.  Geometrical characterization of fluorescently labelled surfaces from noisy 3D microscopy data. Journal of microscopy. 269:259–268.
Schmidt BVKJ, Wang CX, Kraemer S, Connal LA, Klinger D.  2017.  Highly functional ellipsoidal block copolymer nanoparticles: a generalized approach to nanostructured chemical ordering in phase separated colloidal particles. Polymer Chemistry.
Wang M, Ford MJ, Lill AT, Phan H, Nguyen T-Q, Bazan GC.  2017.  Hole Mobility and Electron Injection Properties of D-A Conjugated Copolymers with Fluorinated Phenylene Acceptor Units. Advanced Materials. 29
Weston L, Wickramaratne D, Van de Walle CG.  2017.  Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
Adamski NL, Zhu Z, Wickramaratne D, Van de Walle CG.  2017.  Hybrid functional study of native point defects and impurities in ZnGeN2. Journal of Applied Physics. 122:195701.

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Acknowledgements

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We acknowledge support from the Center for Scientific Computing from the CNSI, MRL: an NSF MRSEC (DMR-1720256) and NSF CNS-1725797.

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