24 citations · 25 across the 3 of their papers we have counts for
3 papers
STM and DFT studies of CO2 adsorption on Cu(100)-O surface
Steven J. Tjung, Qiang Zhang, Jacob J. Repicky +5
We characterized CO2 adsorption and diffusion on the missing row reconstructed Cu(100)-O surface using a combination of scanning tunneling microscopy (STM) and density functional t…
Brillouin scattering and molecular dynamics study of the elastic properties of Pb(Mg1/3Nb2/3)O3
Muhtar Ahart, Aravind Asthagiri, Zuo-Guang Ye +4
We report the complete set of elastic constants and the bulk modulus for single crystal Pb(Mg1/3Nb2/3)O3 (PMN) at room temperature obtained from Brillouin spectroscopy and molecula…
Atomistic Model Potential for PbTiO3 and PMN by Fitting First Principles Results
M. Sepliarksky, Z. Wu, A. Asthagiri +1
We have developed a shell model potential to describe PbTiO3 and PbMg1/3Nb2/3O3 (PMN) by fitting to first-principles results. At zero pressure, the model reproduces the temperature…