Gaoyang Gou

activity

20112026

most citedPost density functional theoretical studies of highly polar semiconductive Pb(Ti

_{1 - x}

_{x}

_{3 - x}

solid solutions: The effects of cation arrangement on band gap

158 citations · 454 across the 10 of their papers we have counts for

collaborators

Showing 2011Show all

2 papers · 1 filter

cond-mat.mtrl-sci2011★ 139 cited

Lattice normal modes and electronic properties of the correlated metal LaNiO $_{3}$

Gaoyang Gou, Ilya Grinberg, Andrew M. Rappe +1

We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO $_{3}$ . To characterize the rhombohedral to…

cond-mat.mtrl-sci2011★ 158 cited

Post density functional theoretical studies of highly polar semiconductive Pb(Ti $_{1 - x}$ Ni $_{x}$ )O $_{3 - x}$ solid solutions: The effects of cation arrangement on band gap

Gaoyang Gou, Joseph W. Bennett, Hiroyuki Takenaka +1

We use a combination of conventional density functional theory (DFT) and post-DFT methods, including the local density approximation plus Hubbard $U$ (LDA+ $U$ ), PBE0, and self-cons…

Lattice normal modes and electronic properties of the correlated metal LaNiO3​

Post density functional theoretical studies of highly polar semiconductive Pb(Ti1−x​Nix​)O3−x​ solid solutions: The effects of cation arrangement on band gap

Lattice normal modes and electronic properties of the correlated metal LaNiO $_{3}$

Post density functional theoretical studies of highly polar semiconductive Pb(Ti $_{1 - x}$ Ni $_{x}$ )O $_{3 - x}$ solid solutions: The effects of cation arrangement on band gap