E. Walter

activity

19992019

most citedFinite-Temperature Properties of Ba(Zr,Ti)O

_{3}

Relaxors From First Principles

186 citations · 827 across the 16 of their papers we have counts for

collaborators

Showing 2009 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2009★ 3 cited

High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding

Daniel L. Pechkis, Eric J. Walter, Henry Krakauer

A first principles embedded cluster approach is used to calculate O chemical shielding tensors, sigma, in prototypical transition metal oxide ABO_3 perovskite crystals. Our princip…

cond-mat.mtrl-sci2009★ 48 cited

Hybrid density functional calculations of the band gap of Ga $_{x}$ In $_{1 - x}$ N

Xifan Wu, Eric J. Walter, Andrew M. Rappe +2

Recent theoretical work has provided evidence that hybrid functionals, which include a fraction of exact (Hartree Fock) exchange in the density functional theory (DFT) exchange and…

High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding

Hybrid density functional calculations of the band gap of Gax​In1−x​N

Hybrid density functional calculations of the band gap of Ga $_{x}$ In $_{1 - x}$ N