Phase diagram of tetragonal manganites
The phase diagram of La1-xSrxMnO3, as a function of hole doping x and tetragonal distortion c/a, which consists of ferromagnetic (FM), A-, C-, and G-type antiferromagnetic (AF) states, is obtained by the first-principles band structure calculations. Effects of tetragonal distortion on the magnetic ordering are discussed in terms of orbital ordering and anisotropy in the hopping integrals. The general sequence of the magnetic ground states, FM --> A-AF --> C-AF --> G-AF with increasing of x, is also explained based on the instability of FM states with respect to the spin-wave excitations.
Fang
Z
JRCAT-Angstrom Technology Partnership, 1-1-4 Higashi, Tsukuba, Ibaraki 305-0046, Japan.
Solovyev
IV
Terakura
K