199 citations · 337 across the 8 of their papers we have counts for
8 papers
Effect of Local Electron-Electron Correlation in Hydrogen-like Impurities in Ge
H. Sims, E. R. Ylvisaker, E. Şaşıoğlu +3
We have studied the electronic and local magnetic structure of the hydrogen interstitial impurity at the tetrahedral site in diamond-structure Ge, using an empirical tight binding…
Spin and Charge Fluctuations in the -structure Layered Nitride Superconductors
Quan Yin, Erik R. Ylvisaker, Warren E. Pickett
To explore conditions underlying the superconductivity in electron-doped TiNCl where T = 16 K, we calculate the electronic structure, Wannier functions and spin and charge susc…
First-Principles Study of Electronic and Vibrational Properties of BaHfN
Amandeep Kaur, Erik R. Ylvisaker, Yan Li +2
The transition metal nitride BaHfN, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which…
NaAlSi: a self-doped semimetallic superconductor with free electrons and covalent holes
H. B. Rhee, S. Banerjee, E. R. Ylvisaker +1
The layered ternary sp conductor NaAlSi, possessing the iron-pnictide "111" crystal structure, superconducts at 7 K. Using density functional methods, we show that this compound is…
Orbital order, stacking defects and spin-fluctuations in the -electron molecular solid RbO
E. R. Ylvisaker, R. R. P. Singh, W. E. Pickett
We examine magnon and orbiton behavior in localized O anti-bonding molecular orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model…
Anisotropy and Magnetism in the LSDA+U Method
Erik R. Ylvisaker, Warren E. Pickett, Klaus Koepernik
Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less com…