We investigate the electronic structures of InGaN_(2) nanotubes(NTs)using first-principles calculations.It is found that all four types of InGaN_(2) NTs,with the same diameter,have similar stability.The total energy o...We investigate the electronic structures of InGaN_(2) nanotubes(NTs)using first-principles calculations.It is found that all four types of InGaN_(2) NTs,with the same diameter,have similar stability.The total energy of the per unit InGaN_(2) NT depends on its diameter due to the curvature effect.The zigzag(armchair)InGaN_(2) NTs have direct(indirect)band gaps.The band gap increases for all of the InGaN_(2) NTs when their diameters increase.The valence band maximum(VBM)states of the InGaN_(2) NTs are p-like states localised around N atoms.The p-like VBM states in zigzag(armchair)InGaN_(2) NTs are perpendicular(parallel)to the tube axis.展开更多
基金Supported jointly by the National Basic Research Program of China(No 2012CB619304)the National Natural Science Foun-dation of China(51072007,91021017,11047018)+2 种基金the Beijing Natural Science Foundation(1092007,1112007)the Natural Science Foundation of Inner Mongolia Autonomous Region of China(2010BS0101)the“Short Term Oversea Study Program for Ph.D.Candidates” Funded by the Graduate School of Peking University.
文摘We investigate the electronic structures of InGaN_(2) nanotubes(NTs)using first-principles calculations.It is found that all four types of InGaN_(2) NTs,with the same diameter,have similar stability.The total energy of the per unit InGaN_(2) NT depends on its diameter due to the curvature effect.The zigzag(armchair)InGaN_(2) NTs have direct(indirect)band gaps.The band gap increases for all of the InGaN_(2) NTs when their diameters increase.The valence band maximum(VBM)states of the InGaN_(2) NTs are p-like states localised around N atoms.The p-like VBM states in zigzag(armchair)InGaN_(2) NTs are perpendicular(parallel)to the tube axis.
