Competing crystal and magnetic structures in Gd5Ge4
| Title | Competing crystal and magnetic structures in Gd5Ge4 |
| Publication Type | Journal Article |
| Year of Publication | 2010 |
| Authors | Paudyal D, Mudryk Y, Pecharsky VK, Gschneidner KA |
| Journal Title | Physical Review B |
| Volume | 82 |
| Pages | 144413 |
| Date Published | 10/06 |
| ISBN Number | 1098-0121 |
| Accession Number | ISI:000282568600003 |
| Keywords | systems |
| Abstract | From formation energy calculated as a function of shear displacement of neighboring slabs in Gd5Ge4, we confirm stability of Pu5Rh4-type and Tm5Si2Sb2-type structures in addition to the well known orthorhombic O(I) and O(II) structures. The former two structures are more stable when some of the Ge sites are substituted by Ga or Sb, respectively. The sizes as well as the valence electron concentrations of the substituting atoms play important role in the preferred replacements of the Ge atoms in the Pu5Rh4-type and Tm5Si2Sb2-type structures. The calculations of band structure and exchange interactions reveal that the O(I), Pu5Rh4-type, and Tm5Si2Sb2-type structures have ferromagnetic ground states, but the ground state of the O(II)-type structure is antiferromagnetic. |
| URL | <Go to ISI>://000282568600003http://prb.aps.org/pdf/PRB/v82/i14/e144413 |
| DOI | 10.1103/Physrevb.82.144413 |
| Alternate Journal | Phys Rev B |
