Dr. Nicholas Pike

Research Scientist

Publications


Efficient energy transfer and photoluminescence enhancement in 2D MoS2/bulk InSe van der Waals heterostructures


Michael A. Altvater, Christopher E. Stevens, Nicholas A. Pike, Joshua R. Hendrickson, Rahul Rao, Sergiy Krylyuk, Albert V. Davydov, Deep Jariwala, Ruth Pachter, Michael Snure, Nicholas R. Glavin

npj | 2D materials and applications, vol. 9, 2025, p. 31


Understanding the Structure and Polarization in Ferroelectric AlScN, ScGaN, and AlScGaN from First Principles Calculations


Nicholas A. Pike, Ruth Pachter, William J. Kennedy, Nicholas Glavin

Physical Review B, xxx, 2025


Plasmonics and Optical Materials


Computational analysis of the optical response of ZnSe with d-orbital defects


Nicholas A. Pike, Ruth Pachter, Alan D Martinez, Gary Cook

Journal of Physics: Condensed Matter, vol. 34, IOP Publishing, 2022 Mar, p. 205402


Spin waves on chains of YIG particles: dispersion relations, Faraday rotation, and power transmission


Nicholas A. Pike, David Stroud

The European Physical Journal B, vol. 90(3), 2017, p. 59


Faraday rotation, band splitting, and one-way propagation of plasmon waves on a nanoparticle chain


Nicholas A. Pike, D. Stroud

Journal of Applied Physics, vol. 119, 2016 Mar, p. 113103


Theory of plasmonic waves on a chain of metallic nanoparticles in a liquid crystalline host


Nicholas A. Pike, David Stroud

Mark I. Stockman, Plasmonics: Metallic Nanostructures and Their Optical Properties XI, vol. 8809, SPIE, International Society for Optics and Photonics, 2013, p. 880910


Plasmonic waves on a chain of metallic nanoparticles: effects of a liquid-crystalline host


Nicholas A. Pike, David Stroud

Journal of the Optical Society of America B, vol. 30(5), 2013, pp. 1127-1134


Two-dimensional materials


Basal Surface Hybridization of Group V Layered Transition Metal Dichalcogenides


Ali Jawaid, Nicholas A. Pike, Ruth Pachter, Richard Vaia

ACS Materials Au, vol. 3, 2023, pp. 55-65


Angular Dependence of the Second-Order Nonlinear Optical Response in Janus Transition Metal Dichalcogenide Monolayers


Nicholas A. Pike, Ruth Pachter

The Journal of Physical Chemistry C, vol. 126, 2022, pp. 16243-16252


Three-dimensional ab initio description of vibration-assisted electron knock-on displacements in graphene


Alexandru Chirita, Alexander Markevich, Mukesh Tripathi, Nicholas A. Pike, Matthieu J. Verstraete, Jani Kotakoski, Toma Susi

Phys. Rev. B, vol. 105(23), American Physical Society, 2022 Jun, p. 235419


Second-Order Nonlinear Optical Properties of Monolayer Transition-Metal Dichalcogenides by Computational Analysis


Nicholas A. Pike, Ruth Pachter

The Journal of Physical Chemistry C, vol. 125(20), 2021, pp. 11075-11084


Spontaneous interlayer compression in commensurately stacked van der Waals heterostructures


Nicholas A. Pike, Antoine Dewandre, Fran\ifmmode \mbox{\c{c}}\else \c{c}\fi{}ois Chaltin, Laura Garcia Gonzalez, Salvatore Pillitteri, Thomas Ratz, Matthieu J. Verstraete

Phys. Rev. B, vol. 103(23), American Physical Society, 2021 Jun, p. 235307


Vibrational and dielectric properties of monolayer transition metal dichalcogenides


Nicholas A. Pike, Antoine Dewandre, Benoit Van Troeye, Xavier Gonze, Matthieu J. Verstraete

Phys. Rev. Mater., vol. 3(7), American Physical Society, 2019 Jul, p. 074009


Electron-Beam Manipulation of Silicon Dopants in Graphene


Mukesh Tripathi, Andreas Mittelberger, Nicholas A. Pike, Clemens Mangler, Jannik C. Meyer, Matthieu J. Verstraete, Jani Kotakoski, Toma Susi

Nano Letters, vol. 18, 2018, pp. 5319-5323


Vibrational and dielectric properties of the bulk transition metal dichalcogenides


Nicholas A. Pike, Antoine Dewandre, Benoit Van Troeye, Xavier Gonze, Matthieu J. Verstraete

Phys. Rev. Mater., vol. 2(6), American Physical Society, 2018 Jun, p. 063608


Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides


Nicholas A. Pike, Benoit Van Troeye, Antoine Dewandre, Guido Petretto, Xavier Gonze, Gian-Marco Rignanese, Matthieu J. Verstraete

Phys. Rev. B, vol. 95(20), American Physical Society, 2017 May, p. 201106


Graphene with adatoms: Tuning the magnetic moment with an applied voltage


Nicholas A. Pike, D. Stroud

Applied Physics Letters, vol. 105, 2014 Aug, p. 052404


Tight-binding model for adatoms on graphene: Analytical density of states, spectral function, and induced magnetic moment


Nicholas A. Pike, D. Stroud

Phys. Rev. B, vol. 89(11), American Physical Society, 2014 Mar, p. 115428


Thesis



Electron Transport


Model for the spin-dependent Seebeck coefficient of InSb in a magnetic field


Nicholas A. Pike, David Stroud

Phys. Rev. B, vol. 90(17), American Physical Society, 2014 Nov, p. 174435


Software Development


Fitting the charged-optimized many-body potential for the Al-O-Se-Zn system


Nicholas A. Pike, Ruth Pachter

Computational Materials Science, vol. 228, 2023, p. 112371


ABINIT: Overview and focus on selected capabilities


Aldo H. Romero, Douglas C. Allan, Bernard Amadon, Gabriel Antonius, Thomas Applencourt, Lucas Baguet, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Fabien Bruneval, Guillaume Brunin, Damien Caliste, Michel Côté, Jules Denier, Cyrus Dreyer, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, François Jollet, Gérald Jomard, Alexandre Martin, Henrique P. C. Miranda, Francesco Naccarato, Guido Petretto, Nicholas A. Pike, Valentin Planes, Sergei Prokhorenko, Tonatiuh Rangel, Fabio Ricci, Gian-Marco Rignanese, Miquel Royo, Massimiliano Stengel, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye, Matthieu J. Verstraete, Julia Wiktor, Josef W. Zwanziger, Xavier Gonze

The Journal of Chemical Physics, vol. 152, 2020 Mar, p. 124102


Calculation of the anisotropic coefficients of thermal expansion: A first-principles approach


Nicholas A. Pike, Ole M. Løvvik

Computational Materials Science, vol. 167, 2019, pp. 257-263


Solid-State Phase Change Materials


New structure and insight on the phase transition within the Cu-Pd-Sn system with 25 at. % Sn


Monika Amundsen, Nicholas A. Pike, Ole Martin Løvvik, Patricia Almeida Carvalho, Anette Eleonora Gunnæs

Materialia, vol. 24, 2022, p. 101461


Determining the Optimal Phase-Change Material via High-Throughput Calculations


Nicholas A. Pike, Amina Matt, Ole M. Løvvik

MRS Advances, vol. 4(50), 2019, pp. 2679-2687