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13 papers · 1 filter
Raman Characterization of Platinum Diselenide Thin Films
Maria O'Brien, Niall McEvoy, Carlo Motta +12
Platinum diselenide (PtSe2) is a newly discovered 2D material which is of great interest for applications in electronics and catalysis. PtSe2 films were synthesized by thermally-as…
Designing a fully-compensated half-metallic ferrimagnet
Mario Zic, Karsten Rode, Naganivetha Thiyagarajah +8
Recent experimental work on Mn2RuxGa demonstrates its potential as a compensated ferrimagnetic half-metal (CFHM).Here we present a set of high-throughput ab initio density function…
The role of spin-orbit interaction in the ultrafast demagnetization of small iron clusters
Maria Stamenova, Jacopo Simoni, Stefano Sanvito
The ultra-fast demagnetization of small iron clusters initiated by an intense optical excitation is studied with time-dependent spin density functional theory (TDSDFT). In particul…
Charge transfer energies of benzene physisorbed on a graphene sheet from constrained density functional theory
Subhayan Roychoudhury, Carlo Motta, Stefano Sanvito
Constrained density functional theory (CDFT) is used to evaluate the energy level alignment of a benzene molecule as it approaches a graphene sheet. Within CDFT the problem is conv…
Observation of quasi-two-dimensional Dirac fermions in ZrTe5
Xiang Yuan, Cheng Zhang, Yanwen Liu +11
Since the discovery of graphene, layered materials have attracted extensive interests owing to their unique electronic and optical characteristics. Among them, Dirac semimetal, one…
Spectral Sensitivity of Graphene/Silicon Heterojunction Photodetectors
Sarah Riazimehr, Andreas Bablich, Daniel Schneider +5
We have studied the optical properties of two-dimensional (2D) Schottky photodiode heterojunctions made of chemical vapor deposited (CVD) graphene on n- and p-type Silicon (Si) sub…