activity
19992019
most citedFinite-Temperature Properties of Ba(Zr,Ti)O Relaxors From First Principles

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

collaborators

16 papers

cond-mat.mes-hall2019★ 12 cited

Proximity induced spin-orbit splitting in graphene nanoribbons on transition metal dichalcogenides

Yohanes S. Gani, Eric J. Walter, Enrico Rossi

We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consid…

cond-mat.str-el2016★ 76 cited

The insulating phases of vanadium dioxide are Mott-Hubbard insulators

T. J. Huffman, C. Hendriks, E. J. Walter +6

We present the first comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M2 and triclinic. The main result of our work…

cond-mat.str-el2013★ 49 cited

Anisotropic Infrared Response of Vanadium Dioxide Microcrystals

T. J. Huffman, Peng Xu, M. M. Qazilbash +8

Vanadium dioxide (VO2) undergoes a phase transition at a temperature of 340 K between an insulating monoclinic M1 phase and a conducting rutile phase. Accurate measurements of poss…

cond-mat.str-el2013★ 4 cited

Magnetic order in the repulsive Fermi-Hubbard model in three-dimensions and the crossover to two-dimensions

Jie Xu, Simone Chiesa, Eric J. Walter +1

Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experime…

cond-mat.mtrl-sci2012★ 186 cited

Finite-Temperature Properties of Ba(Zr,Ti)O Relaxors From First Principles

A. R. Akbarzadeh, S. Prosandeev, Eric J. Walter +2

A first-principles-based technique is developed to investigate properties of Ba(Zr,Ti)O relaxor ferroelectrics as a function of temperature. The use of this scheme provides ans…

cond-mat.mtrl-sci2011★ 5 cited

First-principles calculations of O NMR chemical shielding in Pb(ZrTi)O and Pb(MgNb)O: linear dependence on transition-metal/oxygen bond lengths

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

First-principles density functional theory (DFT) oxygen chemical shift tensors were calculated for A(B,B)O perovskite alloys Pb(ZrTi)O (PZT) and…