Insight into physical properties of lutetium-based double half-Heusler alloys LuXCo_(2)Bi_(2)(X=V,Nb and Ta)  

作　　者：Saber Saad Essaoud Said Al Azar Ahmad A.Mousa Anas Y.Al-Reyahi Nabil Al Aqtash Mohammed Elamin Ketfi 

机构地区：[1]Department of Physics,Faculty of Science,University of M'sila,28000,M'sila,Algeria [2]Laboratoire de Physique des Particules et Physique Statistique,Ecole Normale Superieure-Kouba,BP 92,Vieux-Kouba,16050,Algiers,Algeria [3]Department of Physics,Faculty of Science,Zarqa University,Zarqa,13132,Jordan [4]Department of Basic Sciences,Middle East University,Amman,183,Jordan [5]Applied Science Research Center,Applied Science Private University,Amman,11937,Jordan [6]Department of Physics,Faculty of Science,The Hashemite University,P.0.Box 330127,Zarqa,13133,Jordan [7]Department of Electronics,Faculty of Technology,University of M'sila,28000,M'sila,Algeria

出　　处：《Journal of Rare Earths》2025年第1期199-208,I0008,共11页稀土学报(英文版)

摘　　要：Based on the density functional theory,the double half-Heusler alloys LuXCo_(2)Bi_(2)(X=V,Nb,and Ta)were studied to predict their structural,thermodynamic,thermoelectric,and optical characteristics.All the considered alloys are thermodynamically stable and have semiconductor behavior with indirect band gaps of 0.62,0.75,and 0.8 eV for LuVCo_(2)Bi_(2),LuNbCo_(2)Bi_(2),and LuTaCu_(2)Bi_(2),respectively.The investigated compounds exhibit semiconducting behavior with energy gaps below 0.8 eV.The impact of heat and pressure on thermodynamic coefficients was evaluated,and the influence of charge carriers on the temperature-dependent properties was studied using the semi-classical Boltzmann model.The studied compounds were characterized by their low lattice thermal conductivity at room temperature and low thermal expansion coefficient.These alloys exhibit substantial absorption coefficients in the ultraviolet(UV)light region,high optical conductivity,and high reflectivity in the visible light region,making them highly appealing materials for applications in the energy and electronics sectors.

关 键 词：Double half-Heusler Abinitio calculation Optical coefficients THERMOELECTRICITY Lattice thermal conductivity RAREEARTHS 

分 类 号：TG1[金属学及工艺—金属学]