Publications

All group authors are underlined.

PI: 62 peer reviewed articles + 1 book chapter + 5 conference proceedings, h-index 30, >5,200 citations. See Google Scholar for recent citation data. Contact me if you have any questions, are interested in collaboration, or want to receive a full-text version of any of the publications.

Book Chapters

  1. H. Peelaers and C. G. Van de Walle “First-Principles Calculations 1”, In Gallium Oxide, 309-328 (2020) [doi:10.1007/978-3-030-37153-1_17].

Journal Articles (Peer Reviewed)

  1. T. Chou, T. Tran, H. Peelaers, K. Tetzner, O. Hilt, J. Rehm, S. Bin Anooz, A. Fiedler, Z. Galazka, M. Albrecht, and A. Popp “Out-Diffusion and Uphill-Diffusion of Mg in Czochralski-Grown (100) β-Ga2O3 Under High-Temperature Annealing and Its Influence on Lateral MOSFET Devices”, Advanced Electronic Materials 11, 2400342 (2025) [doi:10.1002/aelm.202400342].
  2. Aafiya, A. Marshall, B. Dodson, R. Goul, S. Seacat, H. Peelaers, K. Bray, D. Ewing, M. Walsh, and J. Z. . Wu “Probing Electronic and Dielectric Properties of Ultrathin Ga2O3/Al2O3 Atomic Layer Stacks Made with in Vacuo Atomic Layer Deposition”, Journal of Applied Physics 136, 025104 (2024) [doi:10.1063/5.0208590].
  3. N. Fuller, F. Rudayni, S. Amos, K. Rijal, S. A. Maroufian, P. Valencia-Acuna, T. Karl, H. Zhao, H. Peelaers, Q. Zhou, and W. Chan “Modulation of Electrostatic Potential in 2D Crystal Engineered by an Array of Alternating Polar Molecules”, Nano Letters 24, 10258 (2024) [doi:10.1021/acs.nanolett.4c02555].
  4. S. Seacat and H. Peelaers“Achieving N-Type Doped Monoclinic ( In x Al 1 - x ) 2 O 3 Alloys”, Journal of Applied Physics 135, 235705 (2024) [doi:10.1063/5.0211069].
  5. S. Seacat, J. L. Lyons, and H. Peelaers“Computational Design of Optimal Heterostructures for β-Ga2O3”, Physical Review Materials 8, 014601 (2024) [doi:10.1103/PhysRevMaterials.8.014601].
  6. H. Ghadi, J. F. McGlone, E. Cornuelle, A. Senckowski, S. Sharma, M. Wong, U. Singisetti, Y. Frodason, H. Peelaers, J. L. Lyons, J. B. Varley, C. G. Van de Walle, A. Arehart, and S. A. Ringel “Identification and Characterization of Deep Nitrogen Acceptors in β-Ga2O3 Using Defect Spectroscopies”, APL Materials 11, 111110 (2023) [doi:10.1063/5.0160541].
  7. P. Valencia-Acuna, S. Amos, H. Peelaers, and H. Zhao “Energy-Valley-Dependent Charge Transfer in Few-Layer Transition Metal Dichalcogenide Heterostructures”, Physical Review B 108, 085302 (2023) [doi:10.1103/PhysRevB.108.085302].
  8. K. Rijal, S. Amos, P. Valencia-Acuna, F. Rudayni, N. Fuller, H. Zhao, H. Peelaers, and W. Chan “Nanoscale Periodic Trapping Sites for Interlayer Excitons Built by Deformable Molecular Crystal on 2D Crystal”, ACS Nano 17, 7775 (2023) [doi:10.1021/acsnano.3c00541].
  9. R. Goul, A. Marshall, S. Seacat, H. Peelaers, F. C. Robles Hernandez, and J. Z. Wu “Atomic-Scale Tuning of Ultrathin Memristors”, Communications Physics 5, 1 (2022) [doi:10.1038/s42005-022-01037-4].
  10. M. Tripepi, S. Zhang, B. Harris, N. Talisa, J. Yoo, H. Peelaers, S. Elhadj, and E. Chowdhury “Few-Cycle Optical Field Breakdown and Damage of Gallium Oxide and Gallium Nitride”, APL Materials 10, 071107 (2022) [doi:10.1063/5.0083664].
  11. A. Mauze, Y. Zhang, T. Itoh, T. E. Mates, H. Peelaers, C. G. Van de Walle, and J. S. Speck “Mg Doping and Diffusion in (010) β-Ga2O3 Films Grown by Plasma-Assisted Molecular Beam Epitaxy”, Journal of Applied Physics 130, 235301 (2021) [doi:10.1063/5.0072611].
  12. S. Seacat, J. L. Lyons, and H. Peelaers“Properties of Orthorhombic Ga2O3 Alloyed with In2O3 and Al2O3”, Applied Physics Letters 119, 042104 (2021) [doi:10.1063/5.0060801].
  13. O. Koksal, N. Tanen, J. McCandless, D. Jena, H. Xing, H. Peelaers, F. Rana, and A. Singh “Ultrafast Dynamics of Gallium Vacancy Charge States in β-Ga2O3”, Physical Review Research 3, 023154 (2021) [doi:10.1103/PhysRevResearch.3.023154].
  14. G. Winkler, L. W. Perner, G. -W. Truong, G. -W. Truong, G. Zhao, D. Bachmann, A. S. Mayer, J. Fellinger, D. Follman, D. Follman, P. Heu, C. Deutsch, D. M. Bailey, H. Peelaers, S. Puchegger, A. J. Fleisher, G. D. Cole, G. D. Cole, and O. H. Heckl “Mid-Infrared Interference Coatings with Excess Optical Loss below 10 Ppm”, Optica 8, 686 (2021) [doi:10.1364/OPTICA.405938].
  15. P. Valencia-Acuna, T. R. Kafle, P. Zereshki, H. Peelaers, W. Chan, and H. Zhao “Ultrafast Hole Transfer from Monolayer ReS2 to Thin-Film F8ZnPc”, Applied Physics Letters 118, 153104 (2021) [doi:10.1063/5.0045710].
  16. S. Mu, H. Peelaers, Y. Zhang, M. Wang, and C. G. Van de Walle “Orientation-Dependent Band Offsets between (AlxGa1-x)2O3 and Ga2O3”, Appl. Phys. Lett. 117, 252104 (2020) [doi:10.1063/5.0036072].
  17. M. W. Swift, H. Peelaers, S. Mu, J. J. L. Morton, and C. G. Van de Walle “First-Principles Calculations of Hyperfine Interaction, Binding Energy, and Quadrupole Coupling for Shallow Donors in Silicon”, npj Comput. Mater. 6, 181 (2020) [doi:10.1038/s41524-020-00448-7].
  18. S. Mu, M. Wang, H. Peelaers, and C. G. Van de Walle “First-Principles Surface Energies for Monoclinic Ga2O3 and Al2O3 and Consequences for Cracking of (AlxGa1-x)2O3”, APL Mater. 8, 091105 (2020) [doi:10.1063/5.0019915].
  19. A. Singh, O. Koksal, N. Tanen, J. McCandless, D. Jena, H. Xing, H. Peelaers, and F. Rana “Intra- and Inter-Conduction Band Optical Absorption Processes in β-Ga2O3”, Appl. Phys. Lett. 117, 072103 (2020) [doi:10.1063/5.0016341].
  20. S. Seacat, J. L. Lyons, and H. Peelaers“Orthorhombic Alloys of Ga2O3 and Al2O3”, Appl. Phys. Lett. 116, 232102 (2020) [doi:10.1063/5.0010354].
  21. M. Bandi, V. Zade, S. Roy, A. N. Nair, S. Seacat, S. Sreenivasan, V. Shutthanandan, C. G. Van de Walle, H. Peelaers, and C. V. Ramana “Effect of Ti Induced Chemical Inhomogeneity on Crystal Structure, Electronic Structure and Optical Properties of Wide Band Gap Ga2O3”, Cryst. Growth Des. 20, 1422 (2020) [doi:10.1021/acs.cgd.9b00747].
  22. W. Wang, Y. Kang, H. Peelaers, K. Krishnaswamy, and C. G. Van de Walle “First-Principles Study of Transport in WO3”, Phys. Rev. B 101, 045116 (2020) [doi:10.1103/PhysRevB.101.045116].
  23. S. Mu, H. Peelaers, and C. G. Van de Walle “Ab Initio Study of Enhanced Thermal Conductivity in Ordered AlGaO3 Alloys”, Appl. Phys. Lett. 115, 242103 (2019) [doi:10.1063/1.5131755].
  24. Y. Kang, H. Peelaers, and C. G. Van de Walle “First-Principles Study of Electron-Phonon Interactions and Transport in Anatase TiO2”, Phys. Rev. B 100, 121113(R) (2019) [doi:10.1103/PhysRevB.100.121113].
  25. H. Peelaers, E. Kioupakis, and C. G. Van de Walle “Limitations of In2O3 as a Transparent Conducting Oxide”, Appl. Phys. Lett. 115, 082105 (2019) [doi:10.1063/1.5109569].
  26. H. Peelaers and C. G. Van de Walle “Phonon- and Charged-Impurity-Assisted Indirect Free-Carrier Absorption in Ga2O3”, Phys. Rev. B 100, 081202(R) (2019) [doi:10.1103/PhysRevB.100.081202].
  27. Z. Zhu, H. Peelaers, and C. G. Van de Walle “Hydrogen-Induced Degradation of NaMnO2”, Chem. Mater. 31, 5224 (2019) [doi:10.1021/acs.chemmater.9b01458].
  28. H. Peelaers, J. L. Lyons, J. B. Varley, and C. G. Van de Walle “Deep Acceptors and Their Diffusion in Ga2O3”, APL Mater. 7, 022519 (2019) [doi:10.1063/1.5063807].
  29. H. Peelaers, J. B. Varley, J. S. Speck, and C. G. Van de Walle “Structural and Electronic Properties of Ga2O3-Al2O3 Alloys”, Appl. Phys. Lett. 112, 242101 (2018) [doi:10.1063/1.5036991].
  30. W. Wang, H. Peelaers, J. Shen, and C. G. Van de Walle “Carrier-induced absorption as a mechanism for electrochromism in tungsten trioxide”, MRS Commun. 8, 926–931 (2018) [doi:10.1557/mrc.2018.115].
  31. Y. Kang, H. Peelaers, K. Krishnaswamy, and C. G. Van de Walle “First-principles study of direct and indirect optical absorption in BaSnO3”, Appl. Phys. Lett. 112, 062106 (2018) [doi:10.1063/1.5013641].
  32. H. Peelaers and C. G. Van de Walle “Sub-band-gap absorption in Ga2O3”, Appl. Phys. Lett. 111, 182104 (2017) [doi:10.1063/1.5001323].
  33. H. Peelaers and C. G. Van de Walle “Lack of quantum confinement in Ga2O3 nanolayers”, Phys. Rev. B 96, 081409(R) (2017) [doi:10.1103/PhysRevB.96.081409].
  34. Z. Zhu, H. Peelaers, and C. G. Van de Walle “Electronic and protonic conduction in LaFeO3”, J. Mater. Chem. A 5, 15367 (2017) [doi:10.1039/C7TA04330A].
  35. H. Peelaers, M. L. Chabinyc, and C. G. Van de Walle “Controlling n-Type Doping in MoO3”, Chem. Mater. 29, 2563 (2017) [doi:10.1021/acs.chemmater.6b04479].
  36. Y. Kang, K. Krishnaswamy, H. Peelaers, and C. G. Van de Walle “Fundamental limits on the electron mobility of β-Ga2O3”, J. Phys. Condens. Matter 29, 234001 (2017) [doi:10.1088/1361-648X/aa6f66].
  37. H. Peelaers, E. Durgun, B. Partoens, D. I. Bilc, P. Ghosez, C. G. Van de Walle, and F. M. Peeters “Ab initio study of hydrogenic effective mass impurities in Si nanowires”, J. Phys. Condens. Matter 29, 095303 (2017) [doi:10.1088/1361-648X/aa5768].
  38. H. Peelaers and C. G. Van de Walle “Doping of Ga2O3 with transition metals”, Phys. Rev. B 94, 195203 (2016) [doi:10.1103/PhysRevB.94.195203].
  39. Z. Zhu, H. Peelaers, and C. G. Van de Walle “Hydrogen intercalation in MoS2”, Phys. Rev. B 94, 085426 (2016) [doi:10.1103/PhysRevB.94.085426].
  40. H. Peelaers, E. Kioupakis, and C. G. Van de Walle “Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO2”, Phys. Rev. B 92, 235201 (2015) [doi:10.1103/PhysRevB.92.235201].
  41. H. Peelaers, K. Krishnaswamy, L. Gordon, D. Steiauf, A. Sarwe, A. Janotti, and C. G. Van de Walle “Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides”, Appl. Phys. Lett. 107, 183505 (2015) [doi:10.1063/1.4935222].
  42. Y. Yu, Y. Yu, Y. Cai, W. Li, A. Gurarslan, H. Peelaers, D. E. Aspnes, C. G. Van de Walle, N. V. Nguyen, Y. Zhang, and L. Cao “Exciton-dominated Dielectric Function of Atomically Thin MoS2 Films”, Sci. Rep. 5, 16996 (2015) [doi:10.1038/srep16996].
  43. H. Peelaers, D. Steiauf, J. B. Varley, A. Janotti, and C. G. Van de Walle “(InxGa1-x)2O3 alloys for transparent electronics”, Phys. Rev. B 92, 085206 (2015) [doi:10.1103/PhysRevB.92.085206].
  44. H. Peelaers and C. G. Van de Walle “Brillouin zone and band structure of β-Ga2O3”, Phys. Status Solidi B 252, 828 (2015) [doi:10.1002/pssb.201451551].
  45. B. Himmetoglu, A. Janotti, H. Peelaers, A. Alkauskas, and C. G. Van de Walle “First-principles study of the mobility of SrTiO3”, Phys. Rev. B 90, 241204(R) (2014) [doi:10.1103/PhysRevB.90.241204].
  46. J. E. Padilha, H. Peelaers, A. Janotti, and C. G. Van de Walle “Nature and evolution of the band-edge states in MoS2: From monolayer to bulk”, Phys. Rev. B 90, 205420 (2014) [doi:10.1103/PhysRevB.90.205420].
  47. H. Peelaers and C. G. Van de Walle “First-principles study of van der Waals interactions in MoS2 and MoO3”, J. Phys. Condens. Matter 26, 305502 (2014) [doi:10.1088/0953-8984/26/30/305502].
  48. H. Peelaers and C. G. Van De Walle “Elastic constants and pressure-induced effects in MoS2”, J. Phys. Chem. C 118, 12073 (2014) [doi:10.1021/jp503683h].
  49. W. Hwang, A. Verma, H. Peelaers, V. Protasenko, S. Rouvimov, H. G. Xing, A. Seabaugh, W. Haensch, C. Van de Walle, Z. Galazka, M. Albrecht, R. Fornari, and D. Jena “High-voltage field effect transistors with wide-bandgap β-Ga2O3 nanomembranes”, Appl. Phys. Lett. 104, 203111 (2014) [doi:10.1063/1.4879800].
  50. S. Couet, H. Peelaers, M. Trekels, K. Houben, C. Petermann, M. Y. Hu, J. Y. Zhao, W. Bi, E. E. Alp, E. Menéndez, B. Partoens, F. M. Peeters, M. J. Van Bael, A. Vantomme, and K. Temst “Interplay between lattice dynamics and superconductivity in Nb3Sn thin films”, Phys. Rev. B 88, 045437 (2013) [doi:10.1103/PhysRevB.88.045437].
  51. H. Peelaers and C. G. Van de Walle “Effects of strain on band structure and effective masses in MoS2”, Phys. Rev. B. 86, 241401(R) (2012) [doi:10.1103/PhysRevB.86.241401].
  52. H. Peelaers, E. Kioupakis, and C. G. Van de Walle “Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2”, Appl. Phys. Lett. 100, 011914 (2012) [doi:10.1063/1.3671162].
  53. J. B. Varley, H. Peelaers, A. Janotti, and C. G. Van de Walle “Hydrogenated cation vacancies in semiconducting oxides”, J. Phys. Condens. Matter 23, 334212 (2011) [doi:10.1088/0953-8984/23/33/334212].
  54. H. Peelaers, A. D. Hernández-Nieves, O. Leenaerts, B. Partoens, and F. M. Peeters “Vibrational properties of graphene fluoride and graphane”, Appl. Phys. Lett. 98, 051914 (2011) [doi:10.1063/1.3551712].
  55. H. Peelaers, B. Partoens, M. Giantomassi, T. Rangel, E. Goossens, G. M. Rignanese, X. Gonze, and F. M. Peeters “Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts”, Phys. Rev. B 83, 045306 (2011) [doi:10.1103/PhysRevB.83.045306].
  56. O. Leenaerts, H. Peelaers, A. D. Hernández-Nieves, B. Partoens, and F. M. Peeters “First-principles investigation of graphene fluoride and graphane”, Phys. Rev. B 82, 195436 (2010) [doi:10.1103/PhysRevB.82.195436].
  57. H. Peelaers, B. Partoens, and F. M. Peeters “Electronic and dynamical properties of Si/Ge core-shell nanowires”, Phys. Rev. B 82, 113411 (2010) [doi:10.1103/PhysRevB.82.113411].
  58. H. Peelaers, B. Partoens, and F. M. Peeters “Phonons in Ge nanowires”, Appl. Phys. Lett. 95, 122110 (2009) [doi:10.1063/1.3236526].
  59. H. Peelaers, B. Partoens, and F. M. Peeters “Phonon band structure of Si nanowires: a stability analysis”, Nano Lett. 9, 107 (2009) [doi:10.1021/nl802613p].
  60. H. Peelaers, B. Partoens, and F. M. Peeters “Properties of B and P doped Ge nanowires”, Appl. Phys. Lett. 90, 263103 (2007) [doi:10.1063/1.2752107].
  61. H. Peelaers, B. Partoens, D. V. Tatyanenko, and F. M. Peeters “Dynamics of scattering on a classical two-dimensional artificial atom”, Phys. Rev. E 75, 036606 (2007) [doi:10.1103/PhysRevE.75.036606].
  62. H. Peelaers, B. Partoens, and F. M. Peeters “Formation and Segregation Energies of B and P Doped and BP Codoped Silicon Nanowires”, Nano Lett. 6, 2781 (2006) [doi:10.1021/nl061811p].

Conference Proceedings

  1. W. Wang, H. Peelaers, J. Shen, A. Janotti, and C. G. Van de Walle “Impact of point defects on electrochromism in WO3”, Proc. SPIE 10533, Oxide-based Materials and Devices IX 10533, 105332C (2018) [doi:10.1117/12.2303688].
  2. E. Kim, S. Kim, Y. Lee, S. Lee, S. Lee, W. Choi, H. Peelaers, C. G. Van de Walle, W. Hwang, T. Kosel, and D. Jena “Multilayer Transition-Metal Dichalcogenide Channel Thin-Film Transistors”, IEEE IEDM Tech. Digest , 5.5.1 (2012) [doi:10.1109/IEDM.2012.6478985].
  3. H. Peelaers, B. Partoens, and F. M. Peeters “Free-Standing Si and Ge, and Ge/Si Core-Shell Semiconductor Nanowires”, Acta Phys. Pol. A 122, 294 (2012) [doi:10.12693/APhysPolA.122.294].
  4. H. Peelaers, B. Partoens, and F. M. Peeters “Phonon band structures of Si nanowires”, AIP Conf. Proc. 1199, 323 (2010) [doi:10.1063/1.3295432].
  5. H. Peelaers, B. Partoens, and F. M. Peeters “First-principles study of doped Si and Ge nanowires”, Phys. E 40, 2169 (2008) [doi:10.1016/j.physe.2007.10.090].