158 citations · 446 across the 6 of their papers we have counts for
6 papers
The insulating phases of vanadium dioxide are Mott-Hubbard insulators
T. J. Huffman, C. Hendriks, E. J. Walter +6
We present the first comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M2 and triclinic. The main result of our work…
Anisotropic Infrared Response of Vanadium Dioxide Microcrystals
T. J. Huffman, Peng Xu, M. M. Qazilbash +8
Vanadium dioxide (VO2) undergoes a phase transition at a temperature of 340 K between an insulating monoclinic M1 phase and a conducting rutile phase. Accurate measurements of poss…
Non-Nominal Value of the Dynamical Effective Charge in Alkaline-Earth Oxides
M. Posternak, A. Baldereschi, H. Krakauer +1
We calculate ab-initio the electronic states and the Born dynamical charge Z* of the alkaline-earth oxides in the local-density approximation. We investigate the trend of increasin…
Polarization Dependence of Born Effective Charge and Dielectric Constant in KNbO
Cheng-Zhang Wang, Rici Yu, Henry Krakauer
The Born effective charge Z^{*} and dielectric tensor ε_{\infty} of KNbO_3 are found to be very sensitive to the atomic geometry, changing by as much as 27% between the paraelectri…
Pressure Dependence of Born Effective Charges, Dielectric Constant and Lattice Dynamics in SiC
Cheng-Zhang Wang, Rici Yu, Henry Krakauer
The pressure dependence of the Born effective charge, dielectric constant and zone-center LO and TO phonons have been determined for -SiC by a linear response method based on t…
First-Principles Determination of Chain-Structure Instability in KNbO
Rici Yu, Henry Krakauer
A complete mapping in the Brillouin zone of the structural instability associated with the ferroelectric phase transitions of KNbO has been obtained by first-principles calcula…