TY - JOUR
T1 - Electronic structure and magnetism of transition-metal mononitrides
AU - Shimizu, H.
AU - Shirai, M.
AU - Suzuki, N.
PY - 1997/7
Y1 - 1997/7
N2 - We perform systematically FLAPW band calculations for transition-metal mononitrides MN (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). The equilibrium lattice constants are determined from the total energy calculations and the results are compared with the existing experimental data. We calculate also the hyperfine field at the Fe site in NaCl-type FeN, and effects of the defects of N atoms on the hyperfine field are discussed.
AB - We perform systematically FLAPW band calculations for transition-metal mononitrides MN (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu). The equilibrium lattice constants are determined from the total energy calculations and the results are compared with the existing experimental data. We calculate also the hyperfine field at the Fe site in NaCl-type FeN, and effects of the defects of N atoms on the hyperfine field are discussed.
KW - Antiferromagnetism
KW - Band structure calculation
KW - Ferromagnetism
KW - Transition metal mononitride
UR - http://www.scopus.com/inward/record.url?scp=17144452110&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=17144452110&partnerID=8YFLogxK
U2 - 10.1016/S0921-4526(97)00223-8
DO - 10.1016/S0921-4526(97)00223-8
M3 - Article
AN - SCOPUS:17144452110
SN - 0921-4526
VL - 237-238
SP - 546
EP - 547
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
ER -