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CATEGORIES:Electronic Structure Discussion Group
SUMMARY:Dirac cones in two-dimensional borane? - Miguel Ma
 rtinez-Canales (Edinburgh)
DTSTART;TZID=Europe/London:20150603T110000
DTEND;TZID=Europe/London:20150603T120000
UID:TALK59714AThttp://talks.cam.ac.uk
URL:http://talks.cam.ac.uk/talk/index/59714
DESCRIPTION:Interest in two-dimensional materials has skyrocke
 ted in the last few years\, both from an experimen
 tal and theoretical point of view. From Dirac cone
 s in graphene and novel phenomena in multilayer gr
 aphene\, to spintronics in MoS2 monolayers\, this 
 is an area of very active research. A lot of effor
 t is also spent in finding novel materials with pr
 omising properties.\n\nIn this work I will be talk
 ing about a theoretically predicted compound: two-
 dimensional borane\, a single-layered material of 
 BH stoichiometry\, with promising electronic prope
 rties. The basis of the structure is a puckered an
 d distorted trigonal boron network. Bonding with H
 ydrogen atoms happens outside the boron layer. We 
 argue this material may be synthesised by exfoliat
 ing a weakly bonded high-pressure polymorph.\n\nDF
 T calculations support the existence of Dirac cone
 s meeting at the Fermy energy Ef. The curvature of
  the cones is lower than in graphene\, and so clos
 er to the ideal linear dispersion. The velocity ac
 cording to DFT bands is also higher than in graphe
 ne. Both symmetry and\, in this case\, electron co
 unting arguments play a key role in the resilience
  of these cones. Chemical bonding analysis reveals
  the boron atoms in the network are bound\nby delo
 calized four-center two-electron bonds.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
CONTACT:Dr. Mike Towler
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