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Hexagonal AlN: Dimensional-crossover-driven band-gap transition
(American Physical Society, 2015-02-27)
Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and ...
Portlandite crystal: Bulk, bilayer, and monolayer structures
(American Physical Society, 2015-06-12)
Ca(OH)2 crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, ...