TY - JOUR
T1 - Spin-polarized electronic structure of Mn-IV-V2 chalcopyrites
AU - Naveh, Doron
AU - Kronik, Leeor
PY - 2006/7
Y1 - 2006/7
N2 - We present ab initio density functional theory calculations for the electronic structure of chalcopyrite Mn-IV-V2, with IV = (Si,Ge) and V = (N,P,As), in their ferromagnetic phase. We find that the P and As containing compounds (some of which been recently synthesized) are normal ferromagnetic metals and are therefore of limited use for spintronic applications. The N containing compounds, however, are predicted to be semiconducting, with a valence band that has a wide energy range with 100% spin polarization. As such, they emerge as interesting candidate materials for spin-polarized transport.
AB - We present ab initio density functional theory calculations for the electronic structure of chalcopyrite Mn-IV-V2, with IV = (Si,Ge) and V = (N,P,As), in their ferromagnetic phase. We find that the P and As containing compounds (some of which been recently synthesized) are normal ferromagnetic metals and are therefore of limited use for spintronic applications. The N containing compounds, however, are predicted to be semiconducting, with a valence band that has a wide energy range with 100% spin polarization. As such, they emerge as interesting candidate materials for spin-polarized transport.
UR - http://www.scopus.com/inward/record.url?scp=33746384536&partnerID=8YFLogxK
U2 - 10.1002/pssb.200666806
DO - 10.1002/pssb.200666806
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SN - 0370-1972
VL - 243
SP - 2159
EP - 2163
JO - Physica Status Solidi (B): Basic Research
JF - Physica Status Solidi (B): Basic Research
IS - 9
ER -