Antiferromagnetic bipolar semiconductor LaMnPO with ZrCuSiAs-type structure

Yanagi, Hiroshi*; Watanabe, Takumi*; Kodama, Katsuaki; Iikubo, Satoshi*; Shamoto, Shinichi; Kamiya, Toshio*; Hirano, Masahiro*; Hosono, Hideo*

Journal of Applied Physics, 105(9), p.093916_1 - 093916_8, 2009/05

https://doi.org/10.1063/1.3124582

Electronic and magnetic properties of a layered compound LaMnPO are examined in relation to a newly discovered iso-structural superconductor LaFeAs(P)O. Neutron diffraction measurements, together with temperature dependent magnetic susceptibility, clarify that LaMnPO is an antiferromagnet at least up to 375 K. The spin moment of a Mn ion is determined to be 2.26 at room temperature, and the spin configuration is antiparallel in the Mn-P plane and parallel to between the Mn-P planes, which is rather different from that of LaFeAsO. Optical absorption spectra, photoemission spectra, and temperature dependent electrical conductivity indicate that LaMnPO is a semiconductor. Furthermore, nominally undoped LaMnPO exhibits -type conduction while the conduction type is changed by doping of Cu or Ca to the La sites, indicating that LaMnPO is a bipolar conductor. Density functional calculation using the GGA+U approximation supports the above conclusions; the electronic band structure has an open band gap and the antiferromagnetic spin configuration is more stable than the ferromagnetic one.