Abstract

The local-spin-density approximation (LSDA) is used to perform density-functional total-energy calculations for the ferromagnetic superconductor URhGe in the magnetic and in the nonmagnetic states under high pressure. Our calculations show that the ferromagnetic ground state is energetically preferred in a wide pressure range, even though the nearest U-U interatomic distance is much below Hill's limit. An intriguing behavior of the total magnetic moment upon application of pressure is observed. Due to a compensation of spin and orbital contributions, the total moment vanishes at a pressure of about 12 GPa. If the pressure is further enhanced, the total moment reappears, before a nonmagnetic ground state is obtained at about 50 GPa.

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