20 citations · 61 across the 9 of their papers we have counts for
4 papers · 1 filter
Oxygen vacancies in vanadium dioxide: A DFT study
Oskar Leibnitz, Peter Mlkvik, Nicola A. Spaldin +1
We present a density-functional theory study of the effects of oxygen vacancies on the structural and electronic properties of vanadium dioxide (VO). Our motivation is the repo…
Effects of strain on the stability of the metallic rutile and insulating M1 phases of vanadium dioxide
Peter Mlkvik, Lena Geistlich, Nicola A. Spaldin +1
We present a systematic density-functional theory study of the effects of strain on the structural and electronic properties in vanadium dioxide (VO), with particular emphasis…
Incorporating static intersite correlation effects in vanadium dioxide through DFT
Lea Haas, Peter Mlkvik, Nicola A. Spaldin +1
We analyze the effects on the structural and electronic properties of vanadium dioxide (VO) of adding an empirical inter-atomic potential within the density-functional theory$+…
Influence of germanium substitution on the structural and electronic stability of the competing vanadium dioxide phases
Peter Mlkvik, Claude Ederer, Nicola A. Spaldin
We present a density-functional theory (DFT) study of the structural, electronic, and chemical bonding behaviour in germanium (Ge)-doped vanadium dioxide (VO). Our motivation i…