160 citations · 1.2k across the 46 of their papers we have counts for
7 papers · 1 filter
Robustness of electronic screening effects in electron spectroscopies: example of VO
Vitaly Gorelov, Lucia Reining, Walter R. L. Lambrecht +1
In bulk and low-dimensional extended systems, the screening of excitations by the electron cloud is a key feature governing spectroscopic properties. Widely used computational appr…
Calculated electron paramagnetic resonance -tensor and hyperfine parameters for zinc vacancy and N related defects in ZnO
Klichchupong Dabsamut, Adisak Boonchun, Walter R. L. Lambrecht
Various defects in ZnO, focused on substitutional N and N in various sites, O-site, interstitial and Zn-site are studied using first-principles calculations with the goal o…
Quaternary MgSiN_2-GaN alloy semiconductors for deep UV applications
Ozan Dernek, Walter R. L. Lambrecht
Ultra-wide direct band gap semiconductors hold great promise for deep ultraviolet opto-electronic applications. Here we evaluate the potential of MgSiN-GaN alloys for this purp…
Quasiparticle self-consistent band structures and phase transitions of LiAlO in tetrahedrally and octahedrally coordinated structures
Phillip Popp, Walter R. L. Lambrecht
A first-principles computational study is presented of various phases of LiAlO.The and tetrahedral phases are found to be very close in energy with the phase having…
Delocalization of dark and bright excitons in flat-band materials and the optical properties of VO
Vitaly Gorelov, Lucia Reining, Martin Feneberg +4
The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons, where electrons and holes stay close together, which is associ…
Real space representation of the quasiparticle self-consistent self-energy and its application to defect calculations
Ozan Dernek, Dmitry Skachkov, Walter R. L. Lambrecht +1
The quasiparticle self-consistent QS approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by mea…