Pressure Effect on Electronic Band Structure of NiAs-Type CrTe

概要

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Pressure infltrence on the electronic band strtrcture of Nips-type CrTe is studied for nonmagnetic, ferronaagnetic and anti['erronaagnetic st;rtes by trsing a self-consistent LAPW method,The total energy is calctrlated as a ftrnction of the lattice spacing a, keeping the ratio c/aas the observed valtre. Tlae ferrotaastgnetic state is stable energetically atnong three states fora >3.83 A. For a< 3.83 A, the energy of' antiferrornagnetic state beconaues lower than that offerronuagnetic state, Tluerefore pressure-induced ferronaagnetic+antiferrornagnetic transition isexpected at abotrt 20 GP. For the ferromagnetic state, xvhich is realized below V'C : 340 K, thetheoretical lattice spacing a is obtained as 4.180 A, which agrees f'airly xvell with the observed one(a.5. = 3.981). The taaagnetic tnoraaent arises frona naainly Cr-site and it is remarkably redtrcedby the presstrre as observed. A srauall magnetic naortaent is indtrced at Te-site in the directionantiparallel to the nnotaaent at Cr-site.
社団法人日本物理学会の論文
1998-03-15