Papers Using EPW

EPW was used to calculate electron-phonon properties in the following papers:

  1. N. T. Hung, Ahmad R. T. Nugraha, and R. Saito
    Two-dimensional InSe as a potential thermoelectric material
    arXiv:1705.06688 (2017)
  2. F. Caruso, M. Hoesch, P. Achatz, J. Serrano, M. Krisch, E. Bustarret, and F. Giustino
    Non-adiabatic Kohn anomaly in heavily boron-doped diamond
    arXiv:1706.02151 (2017)
  3. K. Ghosh and U. Singisetti
    Impact Ionization in Monoclinic β−Ga2O3
    arXiv:1705.09203 (2017)
  4. V. A. Jhalani, J.-J. Zhou, and M. Bernardi
    Asymmetry in the hot carrier dynamics in GaN and its impact on the efficiency droop
    arXiv:1703.07880 (2017)
  5. W. H. Han, S. Kim, I.-H. Lee, and K. J. Chang
    A new phosphorus allotrope with direct band gap and high mobility
    arXiv:1705.05073 (2017)
  6. F. Rittweger, N. F. Hinsche, and I. Mertig
    Phonon limited thermoelectric transport in Pb
    arXiv:1705.01976 (2017)
  7. Y. Nakamura, T. Zhao, J. Xi, W. Shi, D. Wang, and Z. Shuai
    Intrinsic charge transport in stanene: roles of bucklings and electron-phonon couplings
    arXiv:1705.01816 (2017)
  8. L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, and R. Ernstorfer
    A momentum-resolved view on electron-phonon coupling in multilayer WSe2
    arXiv:1703.03496 (2017)
  9. N. F. Hinsche, A. S. Ngankeu, K. Guilloy, S. K. Mahatha, A. Grubišić Čabo, M. Bianchi, M. Dendzik, C. E. Sanders, J. A. Miwa, H. Bana, E. Travaglia, P. Lacovig, L. Bignardi, R. Larciprete, A. Baraldi, S. Lizzit, K. S. Thygesen, and P. Hofmann
    Electron-phonon coupling in the spin-split valence band of single layer WS2
    arXiv:1706.05484 (2017)
  10. J.-J. Zheng and E. R. Margine
    Electron-phonon coupling and pairing mechanism in β−Bi2Pd centrosymmetric superconductor
    Phys. Rev. B 95, 014512 (2017)
  11. S. Reichardt and L. Wirtz
    Ab initio calculation of the G peak intensity of graphene: Laser-energy and Fermi-energy dependence and importance of quantum interference effects
    Phys. Rev. B 95, 195422 (2017)
  12. C. Verdi, F. Caruso, and F. Giustino
    Origin of the crossover from polarons to Fermi liquids in transition metal oxides
    Nat. Commun. 8, 15769 (2017)
  13. N. H. Protik, A. Katreb, L. Lindsay, J. Carrete, N. Mingo, and D. Broido
    Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles
    Mater. Today Phys. 1, 31 (2017)
  14. T.-H. Liu, J. Zhou, B. Liao, D. J. Singh, and G. Chen
    First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
    Phys. Rev. B 95, 075206 (2017)
  15. P. H. Jiang, H.J. Liu, L. Cheng, D. D. Fan, J. Zhang, J. Wei, J. H. Liang, and J. Shi
    Thermoelectric properties of γ-graphyne from first-principles calculations
    Carbon 113, 108 (2017)
  16. M. Gao, Q.-Z. Li, X.-W. Yan, and J. Wang
    Prediction of phonon-mediated superconductivity in borophene
    Phys. Rev. B 95, 024505 (2017)
  17. K. Ghosh and U. SIngisetti
    Ab initio study of high-field transport in low symmetry crystals -- Velocity-field curves in monoclinic β-Ga2O3
    arXiv:1612.03126 (2016)
  18. H. Oh, S. Coh, and M. L. Cohen
    Comparative study of high-Tc superconductivity in H3S and H3P
    arXiv:1606.09477 (2016)
  19. J. Liang, D. Fan, P. Jiang, H. Liu, W. Zhao
    Phonon-limited electrical transport properties of intermetallic compound YbAl3 from first-principles calculations
    arXiv:1609.05858 (2016)
  20. G. Samsonidze and B. Kozinsky
    Thermoelectricity by rational design: new materials and insights from first-principles computations of carrier scattering
    arXiv:1511.08115 (2016)
  21. A. D. Wright, C. Verdi, R. L. Milot, G. E. Eperon, M. A. Perez-Osorio, H. J. Snaith, F. Giustino, M. B. Johnston, and L. M. Herz
    Electron-phonon coupling in hybrid lead halide
    Nat. Commun. 7, 11755 (2016)
  22. J.-J. Zhang and S. Dong
    Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations
    2D Mater. 3, 035006 (2016)
  23. A. Kazempour and T. Morshedloo
    Pressure dependency of electron-phonon renormalization in diamond
    Diam. Rel. Mater. 70, 132 (2016)
  24. K. Ghosh and U. SIngisetti
    Ab initio calculation of electron–phonon coupling in monoclinic β-Ga2O3 crystal
    Appl. Phys. Lett. 109, 072102 (2016)
  25. Y. Kamakura, R. Fujita, K. Konaga, Y. Ueoka, N. Mori, and T. Kotani
    Full band Monte Carlo simulation of impact ionization in wide bandgap semiconductors based on ab initio calculation
    2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Nuremberg, 2016, pp. 47-51.
  26. F. Caruso and F. Giustino
    Theory of electron-plasmon coupling in semiconductors
    Phys. Rev. B 94, 115208 (2016)
  27. J.-J. Zhou and M. Bernardi
    Ab initio electron mobility and polar phonon scattering in GaAs
    Phys. Rev. B 94, 201201(R) (2016)
  28. J.-J. Zheng and E. R. Margine
    First-principles calculations of the superconducting properties in Li-decorated monolayer graphene within the anisotropic Migdal-Eliashberg formalism
    Phys. Rev. B 94, 064509 (2016)
  29. J.-Y. Yang, G. Qin, and M. Hu
    Nontrivial contribution of Fröhlich electron-phonon interaction to lattice thermal conductivity of wurtzite GaN
    Appl. Phys. Lett. 109, 242103 (2016)
  30. M. Fiorentini and N. Bonini
    Thermoelectric coefficients of n-doped silicon from first principles via the solution of the Boltzmann transport equation
    Phys. Rev. B 94, 085204 (2016)
  31. J. I. Mustafa, M. Bernardi, J. B. Neaton, and S. G. Louie
    Ab initio electronic relaxation times and transport in noble metals
    Phys. Rev. B 94, 155105 (2016)
  32. A. K. Vallabhaneni, D. Singh, H. Bao, J. Murthy, and X. Ruan
    Reliability of Raman measurements of thermal conductivity of single-layer graphene due to selective electron-phonon coupling: A first-principles study
    Phys. Rev. B 93, 125432 (2016)
  33. E. R. Margine, H. Lambert, and F. Giustino
    Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene
    Sci. Rep. 6, 21414 (2016)
  34. Y. Kamakura, T. Kotani, K. Konaga, N. Minamitani, G. Wakimura and N. Mori
    Ab initio study of avalanche breakdown in diamond for power device applications
    2015 IEEE International Electron Devices Meeting (IEDM), 5.2.1 (2015)
  35. Y. Jiang, J. Xi, and Z.Shuai
    Mechanism of charge transport in organic semiconductors and carbon nanomaterials
    MRS Proceedings 1733, mrsf14-1733-q02-06 (2015)
  36. B. Liao, J. Zhou, B. Qiu, M. S. Dresselhaus, and G. Chen
    ''Ab initio study of electron-phonon interaction in phosphorene'
    Phys. Rev. B 91, 235419 (2015)
  37. N. Tandon, J. D. Albrecht, and L. R. Ram-Mohan
    Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering
    J. Appl. Phys. 118, 045713 (2015)
  38. A. Kazempour
    Polaronic correlation offsets in tetrahedral semiconductors
    Diam. Rel. Mater. 60, 9 (2015)
  39. B. Qiu, Z. Tian, A. Vallabhaneni, B. Liao, J. M. Mendoza, O. D. Restrepo, X. Ruan, and G. Chen
    First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon
    Eur. Phys. Lett. 109, 57006 (2015)
  40. C. Verdi and F. Giustino
    Fröhlich Electron-Phonon Vertex from First Principles
    Phys. Rev. Lett. 115, 176401 (2015)
  41. M. Bernardi, J. Mustafa, J. B. Neaton, and S. G. Louie
    Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals
    Nat. Commun. 6, 7044 (2015)
  42. B. Liao, B. Qiu, J. Zhou, S. Huberman, K. Esfarjani, and G. Chen
    Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study
    Phys. Rev. Lett. 114, 115901 (2015)
  43. J. Zhou, B. Liao, B. Qiu, S. Hubermana, K. Esfarjanib, M. S. Dresselhausd, and G. Chen
    ''Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion'
    PNAS 112, 14777 (2015)
  44. B. Liao, B. Qiu, J. Zhou, S. Huberman, K. Esfarjani, and G. Chen
    Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study
    Phys. Rev. Lett. 114, 115901 (2015)
  45. M. Gao, Z.-Y. Lu, and T. Xiang
    Prediction of phonon-mediated high-temperature superconductivity in Li3B4C2
    Phys. Rev. B 91, 045132 (2015)
  46. X.-L. Zhang and W.-M. Liu
    Electron-Phonon Coupling and its implication for the superconducting topological insulators
    Sci. Rep. 5, 8964 (2015)
  47. M. Bernardi, D. Vigil-Fowler, C. S. Ong, J. B. Neaton, and S. G. Louie
    Ab initio study of hot electrons in GaAs
    PNAS 112, 5291 (2015)
  48. N Tandon, J. D. Albrecht, and L. R. Ram-Mohan
    Electron-phonon coupling and associated scattering rates in diamond
    Diam. Relat. Mater. 56, 1, (2015)
  49. J. Xi, D. Wang, Y. Yi, and Z. Shuai
    Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach
    J. Chem. Phys. 141, 034704 (2014)
  50. E. R. Margine and F. Giustino
    Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal-Eliashberg theory
    Phys. Rev. B 90, 014518 (2014)
  51. M. Bernardi, D. Vigil-Fowler, J. Lischner, J. B. Neaton, and S. G. Louie
    Ab Initio study of hot carriers in the first picosecond after sunlight absorption in silicon
    Phys. Rev. Lett. 112, 257402 (2014)
  52. C.-H. Park, N. Bonini, T. Sohier, G. Samsonidze, B. Kozinsky, M. Calandra, F. Mauri, and N. Marzari
    Electron-phonon Interactions and the intrinsic electrical resistivity of graphene
    Nano Lett. 14, 1113 (2014)
  53. T. Bazhirov, Y. Sakai, S. Saito, and M. L. Cohen
    Electron-phonon coupling and superconductivity in Li-intercalated layered borocarbide compounds
    Phys. Rev. B 89, 045136 (2014)
  54. E. R. Margine and F. Giustino
    Anisotropic Migdal-Eliashberg theory using Wannier functions
    Phys. Rev. B 87, 024505 (2013)
  55. K. T. Chan, B. D. Malone, and M. L. Cohen
    Pressure dependence of superconductivity in simple cubic phosphorus
    Phys. Rev. B 88, 064517 (2013)
  56. T. Bazhirov, S. Coh, S. G. Louie, and M. L. Cohen
    Importance of oxygen octahedra tilts for the electron-phonon coupling in K-doped BaBiO3
    Phys. Rev. B 88, 224509 (2013)
  57. J. Noffsinger, E. Kioupakis, C. G. Van de Walle, S. G. Louie, and M. L. Cohen
    Phonon-assisted optical absorption in silicon from first principles
    Phys. Rev. Lett. 108, 167402 (2012)
  58. K. T. Chan, B. D. Malone, and M. L. Cohen
    Electron-phonon coupling and superconductivity in arsenic under pressure
    Phys. Rev. B 86, 094515 (2012)
  59. C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
    Inelastic carrier lifetime in bilayer graphene
    Appl. Phys. Lett. 100, 032106 (2012)
  60. N. Vukmirović, C. Bruder, and V. M. Stojanović
    Electron-phonon coupling in crystalline organic semiconductors: microscopic evidence for nonpolaronic charge carriers
    Phys. Rev. Lett. 109, 126407 (2012)
  61. P. H. Tan, W. P. Han, W. J. Zhao, Z. H. Wu, K. Chang, H. Wang, Y. F. Wang, N. Bonini, N. Marzari, N. Pugno, G. Savini, A. Lombardo, and A. C. Ferrari
    The shear mode of multilayer graphene
    Nature Mater. 11, 294 (2012)
  62. T. Bazhirov, J. Noffsinger, and Marvin L. Cohen
    Electron-phonon coupling in bcc lithium
    Phys. Rev. B 84, 125122 (2011)
  63. J. Noffsinger and M. L. Cohen
    Superconductivity in monolayer Pb on Si(111) from first principles
    Solid State Communications 151, 421 (2011)
  64. F. Giustino, S. G. Louie, and M. L. Cohen
    Electron-phonon renormalization of the direct band gap of diamond
    Phys. Rev. Lett. 105,265501 (2010)
  65. T. Bazhirov, J. Noffsinger and M. L. Cohen
    Superconductivity and electron-phonon coupling in lithium and high pressures
    Phys. Rev. B 82, 184509 (2010)
  66. J. Noffsinger and M. L. Cohen
    First-principles calculation of the electron-phonon coupling in ultrathin Pb superconductors: Suppression of the transition temperature by surface phonons
    Phys. Rev. B 81, 214519 (2010)
  67. J. Noffsinger, F. Giustino, B. D. Malone, C.-H. Park, S. G. Louie, and M. L. Cohen
    EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions
    Comput. Phys. Comm. 181, 2140 (2010)
  68. C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
    Angle-resolved photoemission spectra of graphene from first-principles calculations
    Nano Letters 9, 4234 (2009)
  69. J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
    Origin of superconductivity in boron-doped silicon carbide from first principles
    Phys. Rev. B 79, 104511 (2009)
  70. C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
    First-principles study of electron linewidths in graphene
    Phys. Rev. Lett. 102, 076803 (2009)
  71. C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
    Electron-phonon interactions in graphene, bilayer graphene, and graphite
    Nano Letters 8, 4229 (2008)
  72. J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
    First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides
    Phys. Rev. B 77, 180507(R) (2008)
  73. F. Giustino, M. L. Cohen, and S. G. Louie
    Small phonon contribution to the photoemission kink in the copper oxide superconductors
    Nature 452, 975 (2008)
  74. C.-H. Park, F. Giustino, J. L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M. L. Cohen, and S. G. Louie
    Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene
    Phys. Rev. B 77, 113410 (2008)
  75. C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
    Velocity renormalization and carrier lifetime in graphene from the electron-phonon interaction
    Phys. Rev. Lett. 99, 086804 (2007)
  76. F. Giustino, J. R. Yates, I. Souza, M. L. Cohen, and S. G. Louie
    Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined
    Phys. Rev. Lett. 98, 047005 (2007)