Ji, W; Yan, XW; Lu, ZY; Ji, W (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
Abstract With the proposed Hund's rule correlation picture, i.e., the fluctuating Fe local moments with the As-bridged antiferromagnetic superexchange interactions, the exceptional collapsed tetragonal phase and related phase transitions observed in CaFe2As2 are well understood. Within the same framework, a pressure-temperature phase diagram is predicted for BaFe2As2 as well, in which a paramagnetic tetragonal structure and a collinear antiferromagnetic orthorhombic structure to nonmagnetic tetragonal structure transitions take place around 4-8 GPa and 10-15 GPa, respectively, and a nonmagnetic tetragonal to a nonmagnetic collapsed tetragonal structure transition takes place over 26 GPa. Our study helps to better understand the complex correlation among crystal structure, magnetism, and electronic structure in pnictides, a precondition to understanding the superconductivity in pnictides.
Corresponding Author Ji, W (reprint author), Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.
GB/T 7714 Ji, W,Yan, XW,Lu, ZY,et al. Pressure- and temperature-induced structural phase transitions of CaFe2As2 and BaFe2As2 studied in the Hund[J]. PHYSICAL REVIEW B,2011,83(13):132504.
APA Ji, W,Yan, XW,Lu, ZY,&Ji, W .(2011).Pressure- and temperature-induced structural phase transitions of CaFe2As2 and BaFe2As2 studied in the Hund.PHYSICAL REVIEW B,83(13),132504.
MLA Ji, W,et al."Pressure- and temperature-induced structural phase transitions of CaFe2As2 and BaFe2As2 studied in the Hund".PHYSICAL REVIEW B 83.13(2011):132504.