,First-principles calculation of elastic and thermodynamic properties of Ni2MnGa Heusler alloy

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:shizhongshan_2001
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
The equilibrium lattice parameter, heat capacity, thermal expansion coefficient and bulk modulus of Ni2MnGa Heusler alloy are successfully obtained using the first-principles plane-wave pseudopotential (PW-PP) method as well as the quasi-harmonic Debye model. We analyse the relationship between bulk modulus B and temperature T up to 800 K and obtain the relationship between bulk modulus B and pressure at different temperatures. It is found that the bulk modulus B increases monotonically with increasing pressure and decreases with incrcasing temperature. The pressure dependence of heat capacity Cv and thermal expansion a at various temperatures are also analysed. Finally, the Debye temperature of Ni2MnGa is determined from the non-equilibrium Gibbs function. Our calculated results are in excellent agreement with the experimental data.
其他文献
A supercell of a nanotube heterojunction formed by an (8, 0) carbon nanotube (CNT) and an (8, 0) silicon carbide nanotube (SiCNT) is established, in which 96 C
利用MIKE21模型进行浓海水排放对渤海湾海水盐度分布影响的研究,分别以天津大港和河北黄骅两地建设海水淡化工程所排放的浓海水量为输入条件,模拟预测了渤海湾不同潮期和工程
This paper investigates the temperature field distribution and thermal focal length within a laser diode array(LDA)end-pumped YVO4/Nd:YVO4 rectangular composite
冀84—5418是河北省农科院粮油作物所育成的综合抗性强、可塑性大、优质、高产、稳产、早熟的冬小麦新品种。它不仅适应于河北省中南部,而且在整个黄淮麦区具有较广泛的适应
玉米自交系是选配单交种和基础,没有好自交系就选不出好单交种。同列单交集优互补法是选育优良自交系和单交种的短平快方法。
汉城奥运会报道的新气息张抒(人民日报记者): 说起汉城奥运会国内报道与以往有何不同,我以为大致有以下三点。一是从主观的“以我为主”,走向客观大量地描绘了真正的中心场