14 citations · 39 across the 5 of their papers we have counts for
5 papers
Enhanced charge ordering transition in doped CaFeO3 through steric templating
Lai Jiang, Diomedes Saldana-Greco, Joseph T. Schick +1
We report density functional theory (DFT) investigation of -site doped CaFeO, a prototypical charge-ordered perovskite. At 290 K, CaFeO undergoes a metal-insulator trans…
Improper magnetic ferroelectricity of nearly pure electronic nature in cycloidal spiral CaMnO
Jin Soo Lim, Diomedes Saldana-Greco, Andrew M. Rappe
The noncollinear cycloidal magnetic order breaks the inversion symmetry in CaMnO, generating one of the largest spin-orbit driven ferroelectric polarizations measured…
Polarization Dependence of Water Adsorption to CHNHPbI (001) Surfaces
Nathan Z. Koocher, Diomedes Saldana-Greco, Fenggong Wang +2
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture expos…
Structural and Magnetic Reconstruction of Thermodynamically Stable CaMnO (001) Surfaces
Diomedes Saldana-Greco, Chan-Woo Lee, Doyle Yuan +1
The relative thermodynamic stability of surface reconstructions including vacancies, adatoms and additional layers on both CaO and MnO terminations is calculated to predict t…
Coupling between octahedral rotations and local polar displacements in WO3/ReO3 superlattices
Joseph T. Schick, Lai Jiang, Diomedes Saldana-Greco +1
We model short-period superlattices of WO and ReO with first-principles calculations. In fully-relaxed superlattices, we observe that octahedral tilts about an axis in the…