337 citations · 766 across the 15 of their papers we have counts for
5 papers · 1 filter
Unraveling the role of V-V dimer on the vibrational properties of VO by first-principles simulations and Raman spectroscopic analysis
Wasim Raja Mondal, Egor Evlyukhin, Sebastian A. Howard +5
We investigate the vibrational properties of VO2, particularly the low temperature M1 phase by first-principles calculations using the density functional theory as well as Raman sp…
Correlation induced emergent charge order in metallic vanadium dioxide
Christopher N. Singh, L. F. J Piper, Hanjong Paik +2
Recent progress in growth and characterization of thin-film VO has shown its electronic properties can be significantly modulated by epitaxial matching. To throw new light on t…
Influence of Polymorphism on the Electronic Structure of GaO
Jack E. N. Swallow, Christian Vorwerk, Piero Mazzolini +21
The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. GaO has emerged as an altern…
An Improved Laboratory-Based XAFS and XES Spectrometer for Analytical Applications in Materials Chemistry Research
Evan P. Jahrman, William M. Holden, Alex S. Ditter +8
X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority…
Automated Generation and Ensemble-Learned Matching of X-ray Absorption Spectra
Chen Zheng, Kiran Mathew, Chi Chen +9
We report the development of XASdb, a large database of computed reference X-ray absorption spectra (XAS), and a novel Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for…