Erratum: Band offsets between , GaN, ZnO, and and their potential impact for solar cells [Phys. Rev. B 88 , 075302 (2013)] AP Jaroenjittichai, S Lyu, WRL Lambrecht
Physical Review B 96 (7), 079907, 2017
40 2017 Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N2 Semiconductors S Lyu, D Skachkov, K Kash, EW Blanton, WRL Lambrecht
physica status solidi (a) 216 (15), 1800875, 2019
33 2019 Quasiparticle self-consistent GW band structures of Mg-IV-N2 compounds: The role of semicore d states S Lyu, WRL Lambrecht
Solid State Communications 299, 113664, 2019
23 2019 Band alignment at β-Ga2O3/III-N (III= Al, Ga) interfaces through hybrid functional calculations S Lyu, A Pasquarello
Applied Physics Letters 117 (10), 2020
20 2020 Band alignment of III-N, ZnO and II–IV-N2 semiconductors from the electron affinity rule S Lyu, WRL Lambrecht
Journal of Physics D: Applied Physics 53 (1), 015111, 2019
17 2019 Ordering in the mixed -GaN alloy system: Crystal structures and band structures of from first principles BHD Jayatunga, S Lyu, SK Radha, K Kash, WRL Lambrecht
Physical Review Materials 2 (11), 114602, 2018
15 2018 First-principles calculations of phonons and Raman and infrared spectra in Cd-IV-N2 compounds S Lyu, WRL Lambrecht
Journal of Applied Physics 123 (20), 2018
10 2018 Quasiparticle self-consistent electronic band structure of compounds S Lyu, WRL Lambrecht
Physical Review Materials 1 (2), 024606, 2017
9 2017 Quasiparticle self-consistent GW electronic band structures of Be-IV-N2 compounds S Lyu, WRL Lambrecht
Journal of Physics: Condensed Matter 31 (33), 335501, 2019
7 2019 First-principles calculations of elastic and piezoelectric constants and spontaneous polarization in Cd-IV-N2 compounds S Lyu, WRL Lambrecht
Journal of Applied Physics 124 (5), 2018
6 2018 First-principles calculations of second-order nonlinear optical coefficients in the static limit and Pockels coefficients in III-N and compounds S Lyu, WRL Lambrecht
Physical Review Materials 2 (12), 124602, 2018
5 2018 Oxygen Evolution at the BiVO4 –Water Interface: Mechanism of the Water Dehydrogenation Reaction S Lyu, J Wiktor, A Pasquarello
Acs Catalysis 12 (19), 11734-11742, 2022
4 2022 First-principles study of the phonon replicas in the photoluminescence spectrum of -SiC S Lyu, WRL Lambrecht
Physical Review B 101 (4), 045203, 2020
4 2020 First-principles calculations of phonon derived Raman and infrared spectra in Be-IV-N2 compounds S Lyu, Y Liu, WRL Lambrecht
Journal of Physics D: Applied Physics 52 (38), 385106, 2019
3 2019 First-principles Study of II-IV-N2 Compounds S Lyu
Case Western Reserve University, 2019
3 2019 Erratum: First-principles study of the phonon replicas in the photoluminescence spectrum of [Phys. Rev. B 101 , 045203 (2020)] S Lyu, WRL Lambrecht
Physical Review B 102 (7), 079904, 2020
2 2020 Band alignment at β-Ga S Lyu, A Pasquarello
2 2020 Effects of surface orientations and polarities on the InN/ZnO heterojunctions band offsets: A first-principles study S Lyu
Solid State Communications 371, 115280, 2023
1 2023 Band offsets at the interfaces between and S Lyu
Physical Review Materials 7 (1), 014603, 2023
1 2023 Absolute deformation potentials and absolute energy levels of III-N, ZnO, and II-IV-N2 semiconductors for optoelectronic applications H Luo, W Wu, S Lyu
Journal of Physics D: Applied Physics 57 (14), 145305, 2024
2024