类石墨烯材料AlN单层膜德拜温度和热容量随温度的变化  

Temperature Dependence of Debye Temperature and Heat Capacity of Graphene-Like AlN Monolayers

作　　者：何勇军 周庭艳 马朝科 HE Yong-jun;ZHOU Ting-yan;MA Chao-ke(Chongqing No.1 Middle School,Chongqing 401329,China;College of Science,Chongqing University of Posts and Telecommunications,Chongqing 400065,China;School of Physical Science and Technology,Southwest University,Chongqing 400715,China)

机构地区：[1]重庆市第一中学,重庆401329 [2]重庆邮电大学理学院,重庆400065 [3]西南大学物理科学与技术学院,重庆400715

出　　处：《西南大学学报（自然科学版）》2021年第1期60-66,共7页Journal of Southwest University(Natural Science Edition)

基　　金：国家自然科学基金项目(11047147);教育部留学回国人员启动基金项目([2014]1685).

摘　　要：在充分考虑原子非简谐振动的基础上,研究了氮化铝(aluminium nitrite,AIN)单层膜的键能、德拜温度和热容量随温度的变化规律.结果表明,研究相关热学参量时应考虑非简谐效应,温度越高,非简谐效应的影响越明显,第2非简谐效应的影响越显著.AlN单层膜的共价能、共价参量和极性参量均随温度呈非线性变化,在500~1500 K的温度范围变化较快,高于1500 K,变化逐步变缓,最终平稳.极低温下,键能随温度升高而线性地增大,高于150 K后,键能随温度升高而非线性地增大,且温度愈高,非简谐效应愈显著.德拜温度随温度升高而线性地增大.温度不太高时,定容比热随温度升高而线性地增大,温度较高时,定容比热随温度的升高逐步变缓.The AlN(aluminium nitrite)monolayer is a new research hotspot of two-dimensional materials.Taking the anharmonic oscillation of atoms into full consideration,the authors of this paper study the variations of bond energy,Debye temperature and heat capacity with temperature.The results show that the non-harmonic effect should be considered if thermal parameters are studied.The non-harmonic effect becomes increasingly obvious with increasing temperature.The covalent energy,covalent parameters and polarity parameters of AlN monolayers vary nonlinearly with temperature.They change rapidly in the temperature range of 500-1500 K,and with a temperature of>1500 K they change gradually slower,and finally become almost constant.At very low temperature,the bond energy increases linearly with the temperature.With a temperature of>150 K,the bond energy increases nonlinearly with the temperature,and the higher is the temperature,the more obvious the non-harmonic effect will be.The Debye temperature increases linearly with the temperature.When the temperature is not too high,the specific heat capacity increases linearly with the temperature.If the temperature is fairly high,the specific heat capacity varies gradually with the temperature.

关 键 词：氮化铝单层膜 键能 德拜温度 热容量 非简谐效应 类石墨烯 

分 类 号：O482.2[理学—固体物理]