Equilibrium properties of transition metal aluminides☆ Export

@article{citeulike:6064955, abstract = {In this work are studied the band structure and Fermi surfaces of the transition metal aluminides MnAl, FeAl, CoAl, NiAl and CuAl, in the ordered B2 (CsCl) structure, by means of first-principles spin-polarized scalar relativistic calculations. The ground state of MnAl is controversial, and it has been reported as the L1 0 (fct) structure, with a moment of 2.0 μ B  on the Mn atom Zou and Fu (1995) [1]. The present calculations indicate that ferromagnetic MnAl and FeAl are stable in the ordered B2 (CsCl) structure. The magnetic moment on the Mn and Fe atoms are 1.87 μ B  and 0.80 μ B , respectively, and increases with a lattice expansion. CoAl, NiAl and CuAl are nonmagnetic, and CoAl has the smallest unit cell volume and the largest bulk modulus in this series.}, author = {Paduani, C.}, citeulike-article-id = {6064955}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/j.ssc.2009.10.031}, citeulike-linkout-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0038109809006590}, day = {30}, doi = {10.1016/j.ssc.2009.10.031}, issn = {00381098}, journal = {Solid State Communications}, month = {October}, posted-at = {2009-11-03 22:03:50}, title = {Equilibrium properties of transition metal aluminides☆}, url = {http://dx.doi.org/10.1016/j.ssc.2009.10.031}, year = {2009} }

TY - JOUR ID - citeulike:6064955 L3 - citeulike-article-id:6064955 N2 - In this work are studied the band structure and Fermi surfaces of the transition metal aluminides MnAl, FeAl, CoAl, NiAl and CuAl, in the ordered B2 (CsCl) structure, by means of first-principles spin-polarized scalar relativistic calculations. The ground state of MnAl is controversial, and it has been reported as the L1 0 (fct) structure, with a moment of 2.0 μ B  on the Mn atom Zou and Fu (1995) [1]. The present calculations indicate that ferromagnetic MnAl and FeAl are stable in the ordered B2 (CsCl) structure. The magnetic moment on the Mn and Fe atoms are 1.87 μ B  and 0.80 μ B , respectively, and increases with a lattice expansion. CoAl, NiAl and CuAl are nonmagnetic, and CoAl has the smallest unit cell volume and the largest bulk modulus in this series. JF - Solid State Communications SN - 00381098 TI - Equilibrium properties of transition metal aluminides☆ AU - Paduani, C PY - 2009/10/30/ UR - http://dx.doi.org/10.1016/j.ssc.2009.10.031 ER -