First-principle calculations of magnetic properties of Ho_(6)(Fe,Mn)Bi_(2)compounds

作     者：Angel J.Garcia-Adeva Estibaliz Apinaniz Aritz Herrero Ivan R.Aseguinolaza Alberto Oleaga Angel J.Garcia-Adeva;Estibaliz Apiñ aniz;Aritz Herrero;Ivan R.Aseguinolaza;Alberto Oleaga

作者机构：Departamento de Fisica AplicadaEscuela de Ingenieria de V itoria-GasteizUniversidad del Pais V asco UPV/EHU01006 V itoria-GasteizSpain Departamento de Fisica AplicadaEscuela de Ingenieria de BilbaoUniversidad del Pais V asco UPV/EHU48013 BilbaoSpain 

出 版 物：《Rare Metals》 (稀有金属（英文版）)

年 卷 期：2024年第43卷第11期

页      面：6034-6047页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：financially supported by Departamento de Educacion del Gobierno Vasco(No.IT1430-22) 

主　　题：Intermetallic compounds Rare earths Magnetic properties Magnetocaloric effect Density functional theory Heisenberg model 

摘      要：The magnetic properties of Ho_(6)MnBi_(2)and Ho_(6)FeBi_(2)crystals are investigated by means of density functional *** materials are currently an active subject of research in the context of magnetic refrigeration applications since they exhibit a remarkable magnetocaloric *** this work,the equation of state,density of states and magnetic moments are calculated and compared with previous experimental results for these ***,the Curie temperatures for the paramagnetic to ferromagnetic phase transition observed in these systems are calculated from first *** the calculated quantities are in reasonable agreement with experimental data,which suggests that density functional theory could provide a reliable framework to theoretically investigate the magnetic properties of intermetallic ternary compounds.