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SUMMARY:Dirac cones in two-dimensional borane? - Miguel Martinez-Canales (
 Edinburgh)
DTSTART:20150603T100000Z
DTEND:20150603T110000Z
UID:TALK59714@talks.cam.ac.uk
CONTACT:Dr. Mike Towler
DESCRIPTION:Interest in two-dimensional materials has skyrocketed in the l
 ast few years\, both from an experimental and theoretical point of view. F
 rom Dirac cones in graphene and novel phenomena in multilayer graphene\, t
 o spintronics in MoS2 monolayers\, this is an area of very active research
 . A lot of effort is also spent in finding novel materials with promising 
 properties.\n\nIn this work I will be talking about a theoretically predic
 ted compound: two-dimensional borane\, a single-layered material of BH sto
 ichiometry\, with promising electronic properties. The basis of the struct
 ure is a puckered and distorted trigonal boron network. Bonding with Hydro
 gen atoms happens outside the boron layer. We argue this material may be s
 ynthesised by exfoliating a weakly bonded high-pressure polymorph.\n\nDFT 
 calculations support the existence of Dirac cones meeting at the Fermy ene
 rgy Ef. The curvature of the cones is lower than in graphene\, and so clos
 er to the ideal linear dispersion. The velocity according to DFT bands is 
 also higher than in graphene. Both symmetry and\, in this case\, electron 
 counting arguments play a key role in the resilience of these cones. Chemi
 cal bonding analysis reveals the boron atoms in the network are bound\nby 
 delocalized four-center two-electron bonds.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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