A Puzzle of Quantum Phase Transition on Gd-IMC by Tuning of Conduction Electron Concentration

作     者：Negin Kamali Sarvestani Ahmad Yazdani S. Ahmad Ketabi 

作者机构：School of Physics Damghan University Damghan 36716-41167 lran Department of Physics Tarbiat Modares University Tehran 14115-175 Iran 

出 版 物：《Journal of Chemistry and Chemical Engineering》 (化学与化工（英文版）)

年 卷 期：2014年第8卷第1期

页      面：92-96页

学科分类：080705[工学-制冷及低温工程] 080903[工学-微电子学与固体电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0807[工学-动力工程及工程热物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

主　　题：Density functional theory ab initio calculations magnetic structure quantum phase transition. 

摘      要：Based on the critical unstable of both crystal and magnetic structure of Gd-intermetallic compound near the competition of two strongly independent subsystem （＂local 4f7＂ and ＂conduction electron concentration＂）, a new QPT （quantum point transition） is predicted by calculation of： （1） The band structure and density of state by density functional theory where a strong narrowing fluidity of fermions around EF with shifted to negative value ＂-0.8 eV ＂is observable in the Gd-intermetalliccompound system while in the Y-case, it is not dominated. An antiferromagnetic state on the fluidity of conduction band can be investigated; （2） The internal magnetic field due to short range exchange interaction Jij between the nearest neighbor of local magnetic moment of stable s-state of Gd （L = 0） through the mean field approximation and of Eigenvalue-Eigenfunction ~.（k） are calculated. While a strong negative value of Jy is predicted, the eigenvalue L（k） of the system shows a strong antiferromagnetic phase in the reciprocal lattice direction 〈010〉, 〈001〉 in the correlation length 3.38 ~A. Although the antiferromagnetic state at Rc 〈_ 3.38 °A is a puzzle but it is completely dominated at Rc = 9 °A after passing through the competition between ）.λmin（O） and λmin（π） in the ranger of 3.2 °A 〈 Rc 〈 9 °A. Since both of the antiferromagnetic subsystems are sensitive to the predicted KF, the effect of decreasing of conduction electron is proposed to investigate, the change of the antiferromagnetic ordering state to the competition of ferromagnetic state （in direction 〈010〉） and antiferromagnetic state （in direction 〈001 〉 and 〈 100〉） resulted to paramagnetic state in the long range Rc = 9 °A.