13 citations · 13 across the 1 of their papers we have counts for
5 papers
Band-Mott mixing hybridizes the gap in FeMoO
K. Park, G. L. Pascut, G. Khanal +9
We combined optical spectroscopy and first principles electronic structure calculations to reveal the charge gap in the polar magnet FeMoO. Iron occupation on the octah…
Vacancy defect control of colossal thermopower in FeSb2
Qianheng Du, Lijun Wu, Huibo Cao +9
Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscope study with electronic transport neutron, X-ray s…
Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
Can P. Koçer, Kristjan Haule, G. Lucian Pascut +1
Phonons are fundamentally important for many materials properties, including thermal and electronic transport, superconductivity, and structural stability. Here, we describe a meth…
First Principles Study of Electronic Structure and Fermi Surface in Rare-earth Filled Skutterudites RPt4Ge12
Gheorghe Lucian Pascut, Michael Widom, Kristjan Haule +1
Experiments on rare-earth filled skutterudites demonstrate an intriguing array of thermodynamic, transport and superconducting properties, and bring to fore theoretical challenges…
Spectroscopic and first principle DFT+eDMFT study of complex structural, electronic, and vibrational properties of MoO (=Fe, Mn) polar magnets
T. N. Stanislavchuk, G. L. Pascut, A. P. Litvinchuk +8
Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been use…