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5 papers · 2 filters
Enhanced Static Approximation to the Electron Self-Energy Operator for Efficient Calculation of Quasiparticle Energies
Wei Kang, Mark S. Hybertsen
An enhanced static approximation for the electron self energy operator is proposed for efficient calculation of quasiparticle energies. Analysis of the static COHSEX approximation…
Quasiparticle and Optical Properties of Rutile and Anatase TiO
Wei Kang, Mark S. Hybertsen
Quasiparticle excitation energies and optical properties of TiO in the rutile and anatase structures are calculated using many-body perturbation theory methods. Calculations…
A two-component model of the neutron diffuse scattering in the relaxor ferroelectric PZN-4.5%PT
Zhijun Xu, Jinsheng Wen, Guangyong Xu +3
We report measurements of the neutron diffuse scattering in a single crystal of the relaxor ferroelectric material 95.5%Pb(ZnNb)O-4.5%PbTiO (PZN-4.5%PT). Ou…
Robust isothermal electric switching of interface magnetization: A route to voltage-controlled spintronics
Xi He, Yi Wang, Ning Wu +5
Roughness-insensitive and electrically controllable magnetization at the (0001) surface of antiferromagnetic chromia is observed using magnetometry and spin-resolved photoemission…
Unfolding first-principles band structures
Wei Ku, Tom Berlijn, Chi-Cheng Lee
A general method is presented to unfold band structures of first-principles super-cell calculations with proper spectral weight, allowing easier visualization of the electronic str…