Sai Lyu

activity

20192026

G W

band structures of Mg-IV-N

_{2}

compounds: the role of semicore

d

states

27 citations · 32 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2026

Contrasting roles of the superexchange and direct exchange interactions in the metal-insulator transitions of the 2D ferromagnetic $1 T$ -Fe $X_{2}$ ( $X$ =Cl, Br, I) monolayers

Hongxu Luo, Baoyang Zhou, Sai Lyu

Within the rapidly growing family of two-dimensional (2D) materials, 2D ferromagnetic (FM) materials have attracted a great deal of recent attention. The ferromagnetism in 2D FM ma…

cond-mat.mtrl-sci2022

Band offsets at the interfaces between $β$ -Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$

Sai Lyu

The band offsets and the chemical bonding at the interfaces between (-201) $β$ -Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$ polymorphs are studied through hybrid functional calculations. For alumin…

cond-mat.mtrl-sci2019★ 27 cited

Quasiparticle self-consistent $G W$ band structures of Mg-IV-N $_{2}$ compounds: the role of semicore $d$ states

Sai Lyu, Walter R. L. Lambrecht

We present improved band structure calculations of the Mg-IV-N $_{2}$ compounds in the quasiparticle self-consistent $G W$ approximation. Compared to previous calculations (Phys. Rev.…

cond-mat.mtrl-sci2019★ 5 cited

Quasiparticle self-consistent $G W$ electronic band structures of Be-IV-N $_{2}$ compounds

Sai Lyu, Walter R. L. Lambrecht

The electronic band structures of BeSiN $_{2}$ and BeGeN $_{2}$ compounds are calculated using the quasiparticle self-consistent $G W$ method. The lattice parameters are calculated for th…

Contrasting roles of the superexchange and direct exchange interactions in the metal-insulator transitions of the 2D ferromagnetic 1T-FeX2​ (X=Cl, Br, I) monolayers

Band offsets at the interfaces between β-Ga2​O3​ and Al2​O3​

Quasiparticle self-consistent GW band structures of Mg-IV-N2​ compounds: the role of semicore d states

Quasiparticle self-consistent GW electronic band structures of Be-IV-N2​ compounds

Contrasting roles of the superexchange and direct exchange interactions in the metal-insulator transitions of the 2D ferromagnetic $1 T$ -Fe $X_{2}$ ( $X$ =Cl, Br, I) monolayers

Band offsets at the interfaces between $β$ -Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$

Quasiparticle self-consistent $G W$ band structures of Mg-IV-N $_{2}$ compounds: the role of semicore $d$ states

Quasiparticle self-consistent $G W$ electronic band structures of Be-IV-N $_{2}$ compounds