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
41 2019 Erratum: Band offsets between 88 , 075302 (2013)] AP Jaroenjittichai, S Lyu, WRL Lambrecht
Physical Review B 96 (7), 079907, 2017
41 2017 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
27 2020 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
24 2019 Quasiparticle self-consistent S Lyu, WRL Lambrecht
Physical Review Materials 1 (2), 024606, 2017
19 2017 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
18 2019 Ordering in the mixed BHD Jayatunga, S Lyu, SK Radha, K Kash, WRL Lambrecht
Physical Review Materials 2 (11), 114602, 2018
17 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
11 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
8 2022 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
7 2018 First-principles calculations of second-order nonlinear optical coefficients in the static limit and Pockels coefficients in III-N and S Lyu, WRL Lambrecht
Physical Review Materials 2 (12), 124602, 2018
6 2018 First-principles study of the phonon replicas in the photoluminescence spectrum of S Lyu, WRL Lambrecht
Physical Review B 101 (4), 045203, 2020
5 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
5 2019 Modulating superexchange interactions in the two-dimensional high Curie temperature ferromagnetic semiconductors N Wang, J Ren, S Lyu
Physical Review B 108 (6), 064425, 2023
3 2023 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 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 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
2 2019 Effects of atomic vibrations on the electronic structure and the photocatalytic efficiency of H Luo, S Lyu
Physical Review B 109 (19), 195203, 2024
1 2024 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 
Walter LambrechtPerkins Professor of Physics, Case Western Reserve UniversityПотвърден имейл адрес: case.edu
