88 citations · 277 across the 13 of their papers we have counts for
9 papers · 1 filter
DFT modelling of stacking faults in hexagonal and cubic GaN
Zijie Wang, Mazharul M. Islam, David R. Bowler
We have performed density functional theory (DFT) calculations to characterize the energetics, and the atomic and electronic structure, of stacking faults in GaN, both in the stabl…
Polarity vs Chirality: Functionality from competing magneto-structural instabilities
M. Tardieux, E. Stylianidis, D. Behr +6
We report a phenomenological magneto-structural model based on competing free-energy terms that couple either polar or chiral distortions in cubic quadruple perovskites, depending…
Single-Atom Control of Arsenic Incorporation in Silicon for High-Yield Artificial Lattice Fabrication
Taylor J. Z. Stock, Oliver Warschkow, Procopios C. Constantinou +3
Artificial lattices constructed from individual dopant atoms within a semiconductor crystal hold promise to provide novel materials with tailored electronic, magnetic, and optical…
Semimetal-to-semiconductor transition and charge-density-wave melting in -TiSeS single crystals
M. -L. Mottas, T. Jaouen, B. Hildebrand +9
The transition metal dichalcogenide -TiSe is a quasi-two-dimensional layered material with a phase transition towards a commensurate charge density wave (CDW) at a critical…
Electronic coupling between Bi nanolines and the Si(001) substrate: An experimental and theoretical study
M. Longobardi, C. J. Kirkham, R. Villarreal +3
Atomic nanolines are one dimensional systems realized by assembling many atoms on a substrate into long arrays. The electronic properties of the nanolines depend on those of the su…
Stripe and short range order in the charge density wave of 1T-CuTiSe
A. M. Novello, M. Spera, A. Scarfato +4
We study the impact of Cu intercalation on the charge density wave (CDW) in 1T-CuTiSe by scanning tunneling microscopy and spectroscopy. Cu atoms, identif…
Local resilience of the -TiSe charge density wave to Ti self-doping
B. Hildebrand, T. Jaouen, C. Didiot +10
In Ti-intercalated self-doped -TiSe crystals, the charge density wave (CDW) superstructure induces two nonequivalent sites for Ti dopants. Recently, it has been shown that…
Doping nature of native defects in 1T-TiSe2
B. Hildebrand, C. Didiot, A. M. Novello +7
The transition metal dichalcogenide 1T-TiSe2 is a quasi two-dimensional layered material with a charge density wave (CDW) transition temperature of TCDW 200 K. Self-doping effects…
Structure of Bi nanolines: using tight-binding to search parameter space
D. R. Bowler, J. H. G. Owen
We describe how we have used tight binding calculations as a quick, efficient tool to search for possible structures of Bi nanolines on Si(001). After identifying promising candida…