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Dirac cones in two-dimensional borane

CPC. PickardMMTGAB Physical Review B

Dirac cones in 2D borane

Theoretical searches propose 2D borane as a new graphene-like material which is stable and semi-metallic with Dirac cone structure.

Structures and stability of calcium and magnesium carbonates at mantle pressures

CPC. PickardRN Physical Review B

Structures and stability of calcium and magnesium carbonates at mantle pressures

Predicting stable structures of calcium and magnesium carbonate is crucial for understanding the Earth's deep carbon cycle.

Predicting interface structures: from  SrTiO 3  to graphene

CPC. PickardGS Physical Review B

Predicting interface structures: from SrTiO 3 to graphene

Graphene grain boundary structures between armchair and zigzag regions.