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钴中温度诱导的相变

Temperature induced phase transformation in Co.

作者信息

Sewak R, Dey C C, Toprek D

机构信息

Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700064, India.

Homi Bhabha National Institute, Anushaktinagar, Mumbai, 400094, India.

出版信息

Sci Rep. 2022 Jun 16;12(1):10054. doi: 10.1038/s41598-022-14302-x.

Abstract

Temperature dependent phase transformation behavior in cobalt from hexagonal close-packed (hcp) to face centered cubic (fcc) has been found to be contradictory to that reported earlier. It is found that hcp phase stabilizes at both low and high temperature ([Formula: see text]873 K) while fcc phase is stabilized at [Formula: see text]500 K. At 298 K, hcp Co has been found to be predominant ([Formula: see text]70%) where hcp magnetic phase is [Formula: see text]60%. At 973 K, hcp phase is again predominant ([Formula: see text]73%), but it is mainly the non-magnetic phase ([Formula: see text]67%). Contrary to present results, it was found earlier that fcc phase was stabilized at high temperature and hcp to fcc transformation occured at [Formula: see text]700 K. Present results from perturbed angular correlation measurements, therefore, requires a new theoretical interpretation for Co phase transformation. From present measurements, hyperfine magnetic fields in Co at room temperature for the hcp and fcc phases have been found to be 18.7(6) and 12.8(3) T, much lower than earlier reported results. The hyperfine magnetic fields at [Formula: see text]Ta impurity atom have been calculated by density functional theory (DFT) employing the full potential (linearized) augmented plane wave method (FP-LAPW). Present calculated results for both hcp and fcc phases corroborate our experimental results.

摘要

钴中从六方密堆积(hcp)到面心立方(fcc)的温度依赖性相变行为已被发现与先前报道的情况相矛盾。研究发现,hcp相在低温和高温(T<873 K)下均稳定,而fcc相在T>500 K时稳定。在298 K时,已发现hcp Co占主导(>70%),其中hcp磁相占60%。在973 K时,hcp相再次占主导(>73%),但主要是非磁相(>67%)。与目前的结果相反,早期发现fcc相在高温下稳定,且在T>700 K时发生hcp到fcc的转变。因此,目前由扰动角关联测量得到的结果需要对Co相变进行新的理论解释。根据目前的测量,已发现Co中hcp相和fcc相在室温下的超精细磁场分别为18.7(6)和12.8(3) T,远低于早期报道的结果。利用全势(线性化)缀加平面波方法(FP-LAPW)通过密度泛函理论(DFT)计算了Ta杂质原子处的超精细磁场。目前对hcp相和fcc相的计算结果证实了我们的实验结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d28/9203532/73f7d021ac33/41598_2022_14302_Fig1_HTML.jpg

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