For a full list of publications, visit Manos' Google Scholar profile.

  1. Z. Li, D. Cordovilla Leon, W. Lee, K. Datta, Z. Lyu, J. Hou, T. Taniguchi, K. Watanabe, E. Kioupakis, P. Deotare, Dielectric engineering for manipulating exciton transport in semiconductor monolayers, Nano Letters, accepted, (2021). [Link]

  2. M. Kute, Z. Deng, S. Chae, E. Kioupakis, Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N2 semiconductors, Applied Physics Letters 119, 132104 (2021). [Link]

  3. N. Sanders, M. Zhang, K. A. Mengle, L. Qi, and E. Kioupakis, Effect of stacking orientation on the electronic and optical properties of polar 2D III-nitride bilayers, Journal of Physical Chemistry C 125, 16837 (2021). [Link]

    • Supplementary cover

  4. N. Sanders and E. Kioupakis, Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: a critical comparison, Applied Physics Letters 119, 062101 (2021). [Link]

  5. S. Chae, K. Mengle, K. Bushick, J. Lee, N. Sanders, Z. Deng, Z. Mi, P. F. P. Poudeu, H. Paik, J. T. Heron, and E. Kioupakis, Perspective: Towards the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: the case of rutile GeO2, Applied Physics Letters 118, 260501 (2021). [Link]

    • Invited Perspectice article

  6. Z. Deng and E. Kioupakis, Semiconducting character of LaN: magnitude of the band gap, and origin of the electrical conductivity, AIP Advances 11, 065312 (2021). [Link]

  7. P. Meisenheimer, R. Steinhardt, S. H. Sung, L. Williams, S. Zhuang, M. Nowakowski, S. Novakov, M. Torunbalci, B. Prasad, C. Zollner, Z. Wang, N. Dawley, J. Schubert, A. Hunter, S. Manipatruni, D. Nikonov, I. Young, L.-Q. Chen, J. Bokor, S. Bhave, R. Ramesh, J.-M. Hu, E. Kioupakis, R. Hovden, D. Schlom, and J. Heron, Engineering new limits to magnetostriction through metastability in iron-gallium alloys, Nature Communications 12, 2757 (2021). [Link]

  8. M. Ahn, Y. Park, S. H. Lee, S. Chae, J. Lee, J. T. Heron, E. Kioupakis, W. Lu, and J. Phillips, Memristors Based on (Zr, Hf, Nb, Ta, Mo, W) High Entropy Oxides, Advanced Electronic Materials 7, 2001258 (2021). [Link]

  9. P. Wang, B. Wang, D. A. Laleyan, A. Pandey, Y. Wu, Y. Sun, X. Liu, Z. Deng, E. Kioupakis, and Z. Mi, Oxygen defect dominated photoluminescence emission of ScxAl1−xN grown by molecular beam epitaxy, Applied Physics Letters 118, 032102 (2021). [Link]

  10. N. Pant, Z. Deng, and E. Kioupakis, Alloy Scattering in AlxGa1–xN from First Principles, Applied Physics Letters 117, 242105 (2020). [Link]

  11. K. Bushick,* K. A. Mengle,* S. Chae, and E. Kioupakis, Electron and hole mobility of rutile GeO2 from first principles: an ultrawide-band-gap semiconductor for power electronics, Applied Physics Letters 117, 182104 (2020). [Link] [arXiv]

  12. S. Chae, H. Paik, N. M. Vu, E. Kioupakis, and J. T. Heron, Epitaxial stabilization of rutile germanium oxide thin film by molecular beam epitaxy, Applied Physics Letters 117, 072105 (2020). [Link]

    • Editor’s Pick

  13. Y. Wu, D. A. Laleyan, Z. Deng, C. Ahn, A. F. Aiello, A. Pandey, X. Liu, P. Wang, K. Sun, E. Ahmadi, Y. Sun, M. Kira, P. K. Bhattacharya, E. Kioupakis, Z. Mi, Controlling Defect Formation of Nanoscale AlN: Towards Efficient Current Conduction of Ultrawide-Bandgap Semiconductors, Advanced Electronic Materials 6, 2000337 (2020). [Link]

  14. S. Chae, K. A. Mengle, R. Lu, A. Olvera, J. Lee, P. F. P. Poudeu, J. T. Heron, E. Kioupakis, Thermal conductivity of rutile germanium dioxide, Applied Physics Letters 117, 102106 (2020). [Link]

  15. Z. Deng, A. Olvera, J. Casamento, J. Lopez, L. Williams, R. Lu, G. Shi, P. F. P. Poudeu, and E. Kioupakis, Semiconducting high-entropy chalcogenide alloys with ambi-ionic entropy stabilization and ambipolar doping, Chemistry of Materials 32, 6070 (2020). [Link]

  16. Q. Wen, Y. Wu, P. Wang, D. A. Laleyan, D. Bayerl, E. Kioupakis, Z. Mi, M. Kira, Hyperspectral absorption of semiconductor monolayer crystals, Applied Physics Letters 116, 181103 (2020) [Link]

  17. J. M. McMahon, D. S. P. Tanner, E. Kioupakis, and S. Schulz, Atomistic analysis of radiative recombination rate, Stokes shift, and density of states in c-plane InGaN/GaN quantum wells, Applied Physics Letters 116, 181104 (2020). [Link]

  18. B. Song*, K. Chen*, K. Bushick*, K. A. Mengle, F. Tian, G. A. Gamage, Z. Ren, E. Kioupakis, G. Chen, Optical properties of cubic boron arsenide, Applied Physics Letters 116, 141903 (2020). [Link]

  19. K. Bushick*, S. Chae*, Z. Deng, J. T. Heron, and E. Kioupakis, Boron Arsenide Heterostructures: Lattice-Matched Heterointerfaces, and Strain Effects on Band Alignments and Mobility, npj Computational Materials 6, 3 (2020). [Link] [arXiv]

  20. Y. Wu, X. Liu, P. Wang, D. Laleyan, K. Sun, Y. Sun, C. Ahn, M. Kira, E. Kioupakis, and Zetian Mi, Monolayer GaN Excitonic Deep Ultraviolet Light Emitting Diodes, Applied Physics Letters 116, 013101 (2020). [Link]

  21. L. D. Williams and E. Kioupakis, BAlGaN alloys nearly lattice-matched to AlN for efficient UV LEDs, Applied Physics Letters 115, 231103 (2019). [Link] [arXiv]

  22. P. B. Meisenheimer, L. D. Williams, S. H. Sung, J. Gim, P. Shafer, G. N. Kotsonis, J.-P. Maria, M. Trassin, R. Hovden, E. Kioupakis, and J. T. Heron, Magnetic Frustration Control Through Tunable Stereochemically-Driven Structural Disorder in Entropy-Stabilized Oxides, Physical Review Materials 3, 104420 (2019). [Link]

  23. A. Aiello, Y. Wu, A. Pandey, P. Wang, W. Lee, D. Bayerl, N. Sanders, Z. Deng, J. Gim, K. Sun, R. Hovden, E. Kioupakis, Z. Mi, and P. Bhattacharya, Deep Ultraviolet Luminescence Due to Extreme Confinement in Monolayer GaN/Al(Ga)N Nanowire and Planar Heterostructures, Nano Letters 19, 7852 (2019). [Link]

  24. J.-X. Shen, D. Steiauf, A. McAllister, G. Shi, E. Kioupakis, A. Janotti, and C. G. Van de Walle, Impact of phonons and spin-orbit coupling on Auger recombination in InAs, Physical Review B 100, 155202 (2019). [Link]

  25. D. Bayerl and E. Kioupakis, Room-temperature stability of excitons and transverse-electric polarized deep-ultraviolet luminescence in atomically thin GaN quantum wells, Appl. Phys. Lett 115, 131101 (2019). [Link] [arXiv]

  26. K. A. Mengle, S. Chae, and E. Kioupakis, Quasiparticle band structure and optical properties of rutile GeO2, an ultra-wide-band-gap semiconductor, J. Appl. Phys. 126, 085703 (2019). [Link] [arXiv]

  27. K. P. Greenman, L. D. Williams, and E. Kioupakis, Lattice-Constant and Band-Gap Tuning in Wurtzite and Zincblende BInGaN Alloys, J. Appl. Phys. 126, 055702 (2019). [arXiv][Link]

  28. R. A. Makin, K. York, S. M. Durbin, N. Senabulya, J. Mathis, R. Clarke, N. Feldberg and P. Miska, C. M. Jones, L. Williams, Z. Deng, E. Kioupakis, and R. Reeves, Alloy-free band gap tuning across the visible spectrum, Physical Review Letters 122, 256403 (2019). [Link]

  29. A. Pandey, X. Liu, Z. Deng, W. Shin, D. A. Laleyan, K. Mashooq, E. T. Reid, E. Kioupakis, P. Bhattacharya, and Z. Mi, Enhanced Doping Efficiency of Ultrawide Bandgap Semiconductors by Metal-Semiconductor Junction Assisted Epitaxy, Physical Review Materials 3, 053401 (2019). [Link]

  30. J. Lee, W. Schell, X. Zhu, E. Kioupakis, and W. D. Lu, Charge Transition of Oxygen Vacancies during Resistive Switching in Oxide-based RRAM, ACS Applied Materials and Interfaces 11, 11579-11586 (2019). [Link]

  31. S. Chae, J. Lee, K. Mengle, J. T. Heron, and E. Kioupakis, Rutile GeO2: an ultrawide-band-gap semiconductor with ambipolar doping, Applied Physics Letters 114, 102104 (2019). [Link] [arXiv]

  32. M. J. Waters, D. Hashemi, G. Shi, E. Kioupakis, and J. Kieffer, Predictive Simulations for Tuning Electronic and Optical Properties of SubPc Derivatives, Journal of Electronic Materials 48, 2962 (2019). [arXiv] [Link]

  33. K. Mengle and E. Kioupakis, Impact of the Stacking Sequence and Number of Layers on the Band Gap and Luminescence Properties of Hexagonal Boron Nitride, APL Materials, 7, 021106 (2019) [Link]

  34. K. Bushick, K. Mengle, N. Sanders, and E. Kioupakis, Band structure and carrier effective masses of boron arsenide: effects of quasiparticle and spin-orbit coupling corrections, Applied Physics Letters 114, 022101 (2019). [Link][arXiv]

  35. K. Mengle and E. Kioupakis, Vibrational and electron-phonon coupling properties of β-Ga2O3 from first-principles calculations: impact on the mobility and breakdown field, AIP Advances 9, 015313 (2019). [Link][arXiv]

  36. S. Chae, K. Mengle, J. T. Heron, and E. Kioupakis, Point defects and dopants of boron arsenide from first-principles calculations: donor compensation and doping asymmetry, Applied Physics Letters 113, 212101 (2018). [Link] [arXiv]

  37. S. Das, G. Shi, N. Sanders, and E. Kioupakis, Electronic and Optical properties of Two-Dimensional α-PbO from First Principles, Chemistry of Materials 30, 7124 (2018). [Link]

  38. J.-X. Shen, X. Zhang, S. Das, E. Kioupakis, C. G. Van de Walle, Unexpectedly Strong Auger Recombination in Halide Perovskites, Advanced Energy Materials, 1801027 (2018). [Link]

  39. D. A. Laleyan, K. Mengle, S Zhao, Y. Wang, E. Kioupakis, and Z. Mi, Effect of growth temperature on the structural and optical properties of few layer hexagonal boron nitride by molecular beam epitaxy, Optics Express 26, 23031 (2018) [Link].

  40. A. McAllister, D. Bayerl, and E. Kioupakis, Radiative and Auger Recombination Processes in Indium Nitride, Applied Physics Letters 112, 251108 (2018). [Link]

  41. N. A. Moroz, C. Bauer, L. Williams, A. Olvera, J. Casamento, A. Page, T. Bailey, A. Weiland, S. S. Stoyko, E. Kioupakis, C. Uher, J. A. Aitken, and P. F. P. Poudeu, Insights on the Synthesis, Crystal and Electronic Structures, and Optical and Thermoelectric Properties of Sr1-xSbxHfSe3 Orthorhombic Perovskite, Inorganic Chemistry 57, 7402-7411 (2018). [Link]

  42. E. M. Chen, L. Williams, A. Olvera, C. Zhang, M. Zhang, G. Shi, J. T. Heron, L. Qi, L. J. Guo, E. Kioupakis, and P. F. P. Poudeu, Sustainable p-type copper selenide solar material with ultra-large absorption coefficient, Chemical Science 24, 5405-5414 (2018). [Link]

  43. G. Shi and E. Kioupakis, Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: consistent parameterization and prediction of Seebeck coefficients, Journal of Applied Physics 123, 085114 (2018). [Link]

  44. I. Boulares, G. Shi, E. Kioupakis, P. Lošťák, C. Uher, and R. Merlin, Surface phonons in the topological insulators Bi2Se3 and Bi2Te3, Solid State Communications 271, 1 (2018). [Link] [arXiv]

  45. L. Williams and E. Kioupakis, BInGaN alloys nearly-lattice-matched to GaN for high-power high-efficiency visible LEDs, Applied Physics Letters 111, 211107 (2017). [Link] [arXiv]

    • Press release on Eurekalert [Link]. Featured in Semiconductor Today [Link], Compound Semiconductor [Link], Berkeley Lab Computing Sciences [Link], LEDinside (Taiwan) [Link], [Link], and the NERSC website [Link]

  46. N. Sanders, D. Bayerl, G. Shi, K. A. Mengle, and E. Kioupakis, Electronic and optical properties of two-dimensional GaN from first principles, Nano Letters 17, 7345–7349 (2017). [Link]

  47. C. M. Jones, C.-H. Teng, Q. Yan, P.-C. Ku, and E. Kioupakis, Impact of carrier localization on recombination in InGaN quantum wells and the efficiency of nitride light-emitting diodes, Applied Physics Letters 111, 113501 (2017). [arXiv][Link]

  48. T. Thompson, S. Yu, L. Williams, R. D. Schmidt, R. Garcia-Mendez, J. Wolfenstine, J. L. Allen, E. Kioupakis, D. J. Siegel, and J. Sakamoto, Electrochemical window of the Li-ion solid electrolyte LLZO, ACS Energy Letters 2, 462 (2017). [Link]

  49. L. Xie, L. Z. Li, C. A. Heikes, Z. Hong, P. Gao, C. T. Nelson, X. Fei, E. Kioupakis, L.-Q. Chen, D. G. Schlom, P. Wang, and X. Q. Pan, Giant ferroelectric polarization in ultrathin ferroelectrics via boundary-condition engineering, Advanced Materials, 1701475 (2017). [Link]

  50. C. M. Jones and E. Kioupakis, Strain relaxation and band alignment of GaAsSb/GaAs quantum wells, Journal of Applied Physics 122, 045703 (2017). [Link]

  51. J. Lee, W. D. Lu, and E. Kioupakis, Electronic and optical properties of oxygen vacancies in amorphous Ta2O5 from first principles, Nanoscale 9, 1120 (2017). [Link]

  52. K. A. Mengle, G. Shi, D. Bayerl, and E. Kioupakis, First-Principles Calculations of the Near-Edge Optical Properties of β-Ga2O3, Applied Physics Letters 109, 212104 (2016). [Link] [arXiv]

  53. D. Bayerl, S.M. Islam, C. M. Jones, V. Protasenko, D. Jena, and E. Kioupakis, Deep ultraviolet emission from ultra-thin GaN/AlN heterostructures, Applied Physics Letters 109, 241102 (2016). [Link]

  54. N. Senabulya, N. Feldberg, R. A. Makin, Y. Yang, G. Shi, C. M. Jones, E. Kioupakis, J. Mathis, R. Clarke, and S. M. Durbin, Stabilization of Orthorhombic Phase in Single-Crystal ZnSnN2 Films, AIP Advances 6, 075019 (2016). [Link]

  55. J. Lee, C. Du, K. Sun, E. Kioupakis, and W. D. Lu, Tuning ionic transport in memristive devices by graphene with engineered nanopores, ACS Nano 10, 3571 (2016). [Link]

  56. M. K. L. Man, S. Deckoff-Jones, A. Winchester, G. Shi, G. Aditya, S. Kar, E. Kioupakis, S. Talapatra, and K. M. Dani, Protecting the properties of monolayer MoS2 on silicon based substrates with an atomically thin buffer, Scientific Reports 6, 20890 (2016). [Link]

  57. G. Shi and E. Kioupakis, Anisotropic spin transport and strong visible-light absorbance in few-layer SnSe and GeSe, Nano Letters 15, 6926 (2015). [Link]

  58. J. R. Jokisaari, D. Bayerl, K. Zhang, L. Xie, Y. Nie, D. G. Schlom, E. Kioupakis, G. W. Graham, and X. Pan, TiO2(B) epitaxial thin films grown on SrTiO3-buffered Si substrates analyzed by polarization-dependent Raman spectroscopy and first-principles calculations, Chemistry of Materials 27 (23), 7896–7902 (2015). [Link]

  59. K. Chung, A. McAllister, D. Bilby, B.-G. Kim, M. S. Kwon, D. Lee, E. Kioupakis, and J. Kim, Designing interchain and intrachain properties of conjugated polymers for latent optical information encoding, Chemical Science 6, 6980-6985 (2015). [Link]

  60. A. McAllister, D. Åberg, A. Schleife, and E. Kioupakis, Auger recombination in sodium-iodide scintillators from first principles, Applied Physics Letters 106, 141901 (2015). [Link]

  61. J. M. Rondinelli and E. Kioupakis, Predicting and Designing Optical Properties of Inorganic Materials, Annual Review of Materials Research 45, 491-518 (2015). [Link]

  62. D. Bayerl and E. Kioupakis, Theoretical limits of thermoelectric figure of merit in n-type TiO2 polymorphs, Physical Review B 91, 165104 (2015). [Link]

  63. A. S. Toulouse, B. P. Isaacoff, G. Shi, M. Matuchová, E. Kioupakis, and R. Merlin, Frenkel-like Wannier-Mott excitons in few-layer PbI2, Physical Review B 91, 165308 (2015). [arXiv][Link]

  64. G. Shi and E. Kioupakis, Electronic and optical properties of nanoporous silicon for solar-cell applications, ACS Photonics 2 (2), 208–215 (2015). [Link]

  65. G. Shi and E. Kioupakis, Quasiparticle band structures and thermoelectric transport properties of p-type SnSe, Journal of Applied Physics 117, 065103 (2015) [Link][arXiv]

  66. A. Olvera, G. Shi, H. Djieutedjeu, A. Page, C. Uher, E. Kioupakis, and P. F. P. Poudeu, Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties, Inorg. Chem. 54, 746-755 (2015) [Link]

  67. J. Lee, W. D. Lu, and E. Kioupakis, Electronic properties of tantalum pentoxide polymorphs from first-principles calculations, Applied Physics Letters 105, 202108 (2014). [Link]

  68. H. Chi, H. Kim, J. C. Thomas, G. Shi, K. Sun, M. Abeykoon, E. S. Bozin, X. Shi, Q. Li, X. Shi, E. Kioupakis, A. Van der Ven, M. Kaviany, and C. Uher, Low-temperature structural and transport anomalies in Cu2Se, Physical Review B 89, 195209 (2014) [Link]

  69. D. Bayerl and E. Kioupakis, Visible-wavelength polarized light emission with small-diameter InN nanowires, Nano Letters 14 (7), 3709 (2014). [Link]

    • Cover article of the July 2014 issue of Nano Letters [Link].

    • Featured in Compound Semiconductor [Link], Semiconductor Today [Link], Photonics Spectra [Link], HPCwire [Link], Materials Today [Link], and on the website of the NERSC facility [Link].

    • Included in the 2015 DOE's Quadrennial Technology Review, page 350 [Link].

  70. A. Emly, E. Kioupakis, and A. Van der Ven, Phase stability and transport mechanisms in anti-perovskite Li3OCl and Li3OBr superionic conductors, Chemistry of Materials 25, 4663–4670 (2013) [Link]

II. Doctoral and Post-Doctoral work

  1. H. Peelaers, E. Kioupakis, and C. G. Van de Walle, Limitations of In2O3 as a transparent conducting oxide, Applied Physics Letters 115, 082105 (2019). [arXiv] [Link]

  2. H. Peelaers, E. Kioupakis, and C. G. Van de Walle, Free-carrier absorption in transparent conducting oxides: phonon and impurity scattering in SnO2, Physical Review B 92, 235201 (2015) [Link]

    • Editors’ suggestion.

  3. E. Kioupakis, D. Steiauf, P. Rinke, K. T. Delaney, and C. G. Van de Walle, First-principles calculations of indirect Auger recombination in nitride semiconductors, Physical Review B. 92, 035207 (2015) [arXiv][Link]

  4. Q. Yan, E. Kioupakis, D. Jena, and C. G. Van de Walle, First-principles study of high-field related electronic behavior of group-III nitrides, Physical Review B 90, 121201(R) (2014). [Link]

  5. D. Steiauf, E. Kioupakis, and C. G. Van de Walle, Auger recombination in GaAs from first principles, ACS Photonics 1, 643 (2014) [Link]

  6. E. Kioupakis, Q. Yan, D. Steiauf, and C. G. Van de Walle, Temperature and carrier density dependence of Auger recombination in nitride optoelectronic devices, New Journal of Physics 15, 125006 (2013) [Link]

  7. O. V. Yazyev, E. Kioupakis, J. E. Moore, and S. G. Louie, Quasiparticle effects in the bulk and surface-state bands of Bi2Se3 and Bi2Te3 topological insulators, Physical Review B 85, 161101(R) (2012) [Link]

  8. E. Kioupakis, Q. Yan, and C. G. Van de Walle, Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes, Applied Physics Letters 101, 231107 (2012) [Link]

    • Featured in Compound Semiconductor [Link].

  9. 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, Physical Review Letters 108, 167402 (2012) [Link]

  10. P. Rinke, A. Schleife, E. Kioupakis, A. Janotti, C. Rödl, F. Bechstedt, M. Scheffler, and C. G. Van de Walle, First-principles optical spectra for F centers in MgO, Physical Review Letters 108, 126404 (2012) [Link]

  11. H. Peelaers, E. Kioupakis, and C. G. Van de Walle, Fundamental limits on optical transparency of transparent conducting oxides: free-carrier absorption in SnO2, Applied Physics Letters 100, 011914 (2012) [Link]

    • Included in the special edition (50th Anniversary) of Applied Physics Letters’ “Editor’s Picks”, as one of the most notable APL articles published in recent years. [Link]

  12. E. Kioupakis, P. Rinke, K. T. Delaney, and C. G. Van de Walle, Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes, Applied Physics Letters 98, 161107 (2011) [Link]

    • One of the most cited articles published in Applied Physics Letters in 2011 [Link]

    • Featured in Compound Semiconductor [Link], the website of the U.S. Department of Energy [Link], and the website of the NERSC computing facility [Link].

  13. E. Kioupakis, M. L. Tiago, and S. G. Louie, Quasiparticle electronic structure of bismuth telluride in the GW approximation, Physical Review B 82, 245203 (2010) [Link]

  14. E. Kioupakis, P. Rinke, and C. G. Van de Walle, Determination of internal loss in nitride lasers from first principles, Applied Physics Express 3, 082101 (2010) [Link]

  15. E. Kioupakis, P. Rinke, A. Schleife, F. Bechstedt, and C. G. Van de Walle, Free-carrier absorption in nitrides from first principles, Physical Review B 81, 241201(R) (2010) [Link].

    • Featured in [Link] and Compound Semiconductor [Link].

  16. Y. Wang, E. Kioupakis, X. Lu, D. Wegner, R. Yamachika, J. E. Dahl, R. M. K. Carlson, S. G. Louie, and M. F. Crommie, Spatially resolved electronic and vibronic properties of single diamondoid molecules, Nature Materials 7, 38 (2008) [Link]

  17. E. Kioupakis, P. Zhang, Marvin L. Cohen, and Steven G. Louie, GW quasiparticle corrections to the LDA+U/GGA+U electronic structure of bcc hydrogen, Physical Review B 77, 155114 (2008) [Link]