Abstract
Results of density-functional calculations for isolated transition metal (TM=V,Cr,Mn,Fe,Co,Ni on cation sites) doped GaN demonstrate a novel magnetic metastability in dilute magnetic semiconductors. In addition to the expected high spin ground states (4μB/Mn and 5μB/Fe), there are also metastable low spin states (0μB/Mn and 1μB/Fe)-a phenomenon that can be explained in simple terms on the basis of the ligand field theory. The transition between the high spin and low spin states corresponds to an intraionic transfer of two electrons between the t2 and e orbitals, accompanied by a spin-flip process. The results suggest that TM-doped wideband semiconductors (such as GaN and AlN) may present a new type of light-induced spin-crossover material.
| Original language | English |
|---|---|
| Article number | 016402 |
| Journal | Physical Review Letters |
| Volume | 97 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 2006 |
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Magnetic metastability in tetrahedrally bonded magnetic III-nitride semiconductors. / Cui, X. Y.; Delley, B.; Freeman, Arthur J; Stampfl, C.
In: Physical Review Letters, Vol. 97, No. 1, 016402, 2006.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Magnetic metastability in tetrahedrally bonded magnetic III-nitride semiconductors
AU - Cui, X. Y.
AU - Delley, B.
AU - Freeman, Arthur J
AU - Stampfl, C.
PY - 2006
Y1 - 2006
N2 - Results of density-functional calculations for isolated transition metal (TM=V,Cr,Mn,Fe,Co,Ni on cation sites) doped GaN demonstrate a novel magnetic metastability in dilute magnetic semiconductors. In addition to the expected high spin ground states (4μB/Mn and 5μB/Fe), there are also metastable low spin states (0μB/Mn and 1μB/Fe)-a phenomenon that can be explained in simple terms on the basis of the ligand field theory. The transition between the high spin and low spin states corresponds to an intraionic transfer of two electrons between the t2 and e orbitals, accompanied by a spin-flip process. The results suggest that TM-doped wideband semiconductors (such as GaN and AlN) may present a new type of light-induced spin-crossover material.
AB - Results of density-functional calculations for isolated transition metal (TM=V,Cr,Mn,Fe,Co,Ni on cation sites) doped GaN demonstrate a novel magnetic metastability in dilute magnetic semiconductors. In addition to the expected high spin ground states (4μB/Mn and 5μB/Fe), there are also metastable low spin states (0μB/Mn and 1μB/Fe)-a phenomenon that can be explained in simple terms on the basis of the ligand field theory. The transition between the high spin and low spin states corresponds to an intraionic transfer of two electrons between the t2 and e orbitals, accompanied by a spin-flip process. The results suggest that TM-doped wideband semiconductors (such as GaN and AlN) may present a new type of light-induced spin-crossover material.
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U2 - 10.1103/PhysRevLett.97.016402
DO - 10.1103/PhysRevLett.97.016402
M3 - Article
AN - SCOPUS:33745786634
VL - 97
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 1
M1 - 016402
ER -