,Structural and thermodynamic properties of AlB2 compound

来源 :中国物理(英文版) | 被引量 : 0次 | 上传用户:jyy3196294
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen,Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB2 compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Dcbye model, obtained successfully are the dependences of the normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized primitive cell volume V/Vo on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature θD and the heat capacity CV on pressure P and temperature T.
其他文献
九甜粘早玉米营养丰富,是烤、煮玉米的佳品。河南省陕县科协农技服务部引进试种,该品种栽培管理简便易行,且投资少,见效快,发展前景十分广阔。 一、特征特性:早熟、株矮、平
A physical model of analysing the behaviour of impurities out of coronal equilibrium in tokamak plasmas has been proposed. Through solving the time-dependent ra
This paper describes the behaviour of impurity transport in HL-2A ohmic discharges. In 2005, small quantities of metallic impurities (Al, Ni and Ti) were succes
The effects of trapped electrons on off-axis lower hybrid current drive (LHCD) in tokamaks are studied, A computer code for solving the Fokker-Planck equation i
SiCGe teary alloys have been grown on SiC by hot-wall low-pressure chemical vapour deposition. It has been found that the samples exhibit an island configuratio
叮咚A3灵动版是一款“能听会道”、“响你所想”的智能音箱,它不仅具备传统便携音箱利于携带、长续航、好音质的特性,还能在传统智能音箱的基础上实现“零触摸操作”。  叮咚A3灵动版有着盈盈一握的小巧身材,针对户外运动厂商还配合设计了多种颜色的橡胶套,和A3灵动版搭配使用会更利于携带。在音箱顶部的环型边缘内配有LED呼吸彩灯,它会根据联网状态、工作模式呈现不同的颜色,在昏暗的环境下看起来格外炫酷。  为
The electronic structures and magnetism of Fe nanowires along the [110] direction on Cu(001) and Ag(001)[Fe(nw)/Cu(001) and Fe(nw)/Ag(001)] are investigated by
A novel method, pulsed laser arc deposition combining the advantages of pulsed laser deposition and cathode vacuum arc techniques, was used to deposit the diamo
一、棉花施用涂层尿素的效应 据河北省不同生态区,如正定、元氏、邯郸、清苑、衡水、沧县棉花试验,在施肥量、施肥方法相同的条件下,无论是水浇地还是旱地,棉花施用涂层尿素
In this paper a comprehensive framework for treating the nonlinear propagation of ultrashort pulse in metamaterial with dispersive dielectric susceptibility and