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cond-mat.mtrl-sci2004★ 1.4k cited
First-principles study of spontaneous polarization in multiferroic BiFeO
J. B. Neaton, C. Ederer, U. V. Waghmare +2
The ground-state structural and electronic properties of ferroelectric BiFeO are calculated using density functional theory within the local spin-density approximation and the…
cond-mat.mtrl-sci2002
Enhanced polarization in strained BaTiO from first principles
J. B. Neaton, C. -L. Hsueh, K. M. Rabe
The structure, polarization, and zone-center phonons of bulk tetragonal BaTiO under compressive epitaxial stress are calculated using density functional theory within the local…
cond-mat.mtrl-sci2001
Ferromagnetic instabilities in atomically-thin lithium and sodium wires
A. Bergara, J. B. Neaton, N. W. Ashcroft
Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A…