Anisotropic magnetocaloric effect and first- principle calculations on Nd2Fe14B

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2025-03-27 DOI:10.1016/j.ssc.2025.115935

M.M. Elkenany , S.H. Aly , Sherif Yehia , Doug Westmoreland , Fatema Z. Mohammad

{"title":"Anisotropic magnetocaloric effect and first- principle calculations on Nd2Fe14B","authors":"M.M. Elkenany , S.H. Aly , Sherif Yehia , Doug Westmoreland , Fatema Z. Mohammad","doi":"10.1016/j.ssc.2025.115935","DOIUrl":null,"url":null,"abstract":"<div><div>This theoretical study investigates the effect of magnetic anisotropy on magnetic and magnetothermal properties of Nd<sub>2</sub>Fe<sub>14</sub>B in the temperature range of 78–293 K. Using a classical statistical mechanics based model and the DFT calculations using the VASP code, we determined: magnetization, total heat capacity and magnetocaloric effects (e.g. (ΔS<sub>m</sub>) and (ΔT<sub>ad</sub>) versus temperature and field strength, along the crystallographic directions [110], [100] and [001]<strong>.</strong> Electronic and phonon densities of states (DOS) were calculated to determine the electronic heat capacity coefficient and Debye temperature. Elastic constants, bulk and shear moduli were also obtained along with longitudinal, transverse and average sound velocities. Notably our results reveal a maximum ΔT<sub>ad</sub> of 10.5 K in a 3 T field near the spin reorientation temperature along [110], with a relative cooling power RCP (T) of 276 K<sup>2</sup></div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"401 ","pages":"Article 115935"},"PeriodicalIF":2.1000,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038109825001103","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}

引用次数: 0

Abstract

This theoretical study investigates the effect of magnetic anisotropy on magnetic and magnetothermal properties of Nd₂Fe₁₄B in the temperature range of 78–293 K. Using a classical statistical mechanics based model and the DFT calculations using the VASP code, we determined: magnetization, total heat capacity and magnetocaloric effects (e.g. (ΔS_m) and (ΔT_ad) versus temperature and field strength, along the crystallographic directions [110], [100] and [001]. Electronic and phonon densities of states (DOS) were calculated to determine the electronic heat capacity coefficient and Debye temperature. Elastic constants, bulk and shear moduli were also obtained along with longitudinal, transverse and average sound velocities. Notably our results reveal a maximum ΔT_ad of 10.5 K in a 3 T field near the spin reorientation temperature along [110], with a relative cooling power RCP (T) of 276 K²

查看原文本刊更多论文

Nd2Fe14B的各向异性磁热效应及第一性原理计算

本文研究了磁性各向异性在78 ~ 293 K范围内对Nd2Fe14B磁性和磁热性能的影响。使用基于经典统计力学的模型和使用VASP代码的DFT计算，我们确定了：磁化，总热容量和磁热效应(例如（ΔSm）和（ΔTad）与温度和场强的关系，沿着晶体学方向[110]，[100]和[001]。通过计算电子和声子态密度（DOS）来确定电子热容量系数和德拜温度。弹性常数、体模量和剪切模量随纵向、横向和平均声速的变化而变化。值得注意的是，我们的研究结果显示，在沿[110]的自旋取向温度附近的3t场中，最大ΔTad为10.5 K，相对冷却功率RCP (T)为276 K2

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.