We have calculated the thermal conductivities (κ) of cubic III-V boron compounds using a predictive first principles approach. Boron arsenide is found to have a remarkable room temperature κ over 2000 W m(-1) K(-1); this is comparable to those in diamond and graphite, which are the highest bulk values known. We trace this behavior in boron arsenide to an interplay of certain basic vibrational p...

Submitted for the MAR13 Meeting of The American Physical Society A Comparative Study of Ab-Initio Thermal Conductivity Approaches: The Case of Cubic Boron Nitride SAIKAT MUKHOPADHYAY, Cornell University, LUCAS LINDSAY, Naval Research Laboratory, DAVID BROIDO, Boston College, DEREK STEWART, Cornell University — Given its high strength and large thermal conductivity, cubic boron nitride (cBN) pro...

Results based on ab initio density functional calculations indicate that cubic diamond, boron nitride, and many other cubic structures including rocksalt share a general graphitization tendency in ultrathin films terminated by close-packed (111) surfaces. Whereas such compounds often show an energy preference for cubic rather than layered atomic arrangements in the bulk, the surface energy of l...

In this letter we extend previously established results for nested carbon nanocones to both nested boron nitride and carbon-boron nitride nanocones. Based purely on mechanical principles and classical mathematical modelling techniques, we determine the energetically favourable structures for nested boron nitride and carbon-boron nitride nanocones. While only three apex angles for boron nitride ...

The insulator characteristic of hexagonal boron nitride limits its applications in microelectronics. In this paper, the fluorinated hexagonal boron nitride nanosheets were prepared by doping fluorine into the boron nitride nanosheets exfoliated from the bulk boron nitride in isopropanol via a facile chemical solution method with fluoboric acid; interestingly, these boron nitride nanosheets demo...