形状和原子数对纳米金刚石表面性质的影响  

On Influence of Shape and Atomicity on Surface Character in Nanodiamond

作　　者：龙晓霞[1] 

机构地区：[1]重庆文理学院电子电气工程学院,重庆永川402160

出　　处：《西南师范大学学报（自然科学版）》2013年第5期46-50,共5页Journal of Southwest China Normal University(Natural Science Edition)

基　　金：重庆文理学院科学技术研究资助项目(Y2011DQ53)

摘　　要：研究了纳米金刚石的德拜温度、格林乃森参量、热容量、热膨账系数随原子数、形状的变化规律,探讨了原子数和形状对其热力学性质的影响.结果表明:①纳米金刚石的德拜温度随原子数增多而增大,在3种形状中,以立方体形的德拜温度为最大,而杆状为最小;②纳米金刚石的格林乃森参量和热膨胀系数均随原子数的增多而减小,在3种形状中,以立方体形的值为最小,而杆状的值为最大;③不同形状不同原子数的纳米金刚石的热容量均随温度升高而增大;④当原子数很大(即1/N趋于零)时,形状的影响消失,而且它的德拜温度、格林乃森参量、热容量、热膨胀系数分别趋于块状晶体的结果.We,in this paper,have investigated the effect of material shape and the carbon atom numbers on the Debye temperature,the Grüneisen parameter,thermal capacity,and thermal expansion coefficient in the nanodiamond.As the numbers of carbon atom increases,the Debye temperature increases,while the Grüneisen parameter and thermal expansion coefficient decrease.Compared with three shapes of the nanodiamond,the maximum of the Debye temperature is obtained in the cubic nanodiamond and the minimum of that is in the rod one.The thermal capacity in the nanodiamond increases as the temperature increases.The effect of the shape disappears as the carbon atom numbers reach a larger value,and,meanwhile,the Debye temperature,the Grüneisen parameter,thermal capacity,and thermal expansion coefficient tends to the result of the bulk diamond.

关 键 词：形状和原子数 纳米金刚石 表面性质 格林乃森参量 

分 类 号：O482.2[理学—固体物理]