The Electronic Structure of the RMn_{2}Ge_{2} (R = Ca, Y, La, Ba) Antiferromagnets

• Authors: J. Toboła , B. Malaman , G. Venturini
• Languages of publication: EN

Abstracts

EN

The electronic structure of the tetragonal RMn_{2}Ge_{2} (R = Ca, Y, La, Ba) antiferromagnets is presented using the self-consistent Korringa-Kohn-Rostoker method. According to the neutron refinements, two types of collinear antiferromagnetic structure are taken into account: AF_{1} for YMn_{2}Ge_{2} and AF_{2} for the other compounds. The calculated magnetic moments on Mn: 2.17μ_{B} (YMn_{2}Ge_{2}), 2.84 μ_{B} (CaMn_{2}Ge_{2}), 2.95 μ_{B} (LaMn_{2}Ge_{2}), and 3.47 μ_{B} (BaMn_{2}Ge_{2}) remain in good agreement with the neutron data (in μ_{B}) 2.20, 2.67, 3.05, and 3.66, respectively. As seen on antiferromagnetic density of states, all systems are metallic, however BaMn_{2}Ge_{2} is found near semimetallic limit. The total energy Korringa-Kohn-Rostoker computations on CaMn_{2}Ge_{2}, performed in both antiferromagnetic phases, result in preferring of the AF _{2} structure.

Keywords

EN

71.15.Mb; 71.15.Nc; 75.20.En; 75.20.Hr; 75.50.Ee

Discipline

• 75.50.Ee: Antiferromagnetics
• 71.15.Nc: Total energy and cohesive energy calculations
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 75.20.Hr: Local moment in compounds and alloys; Kondo effect, valence fluctuations, heavy fermions(for Kondo effect and scattering mechanisms in electronic conduction, see 72.15.Qm and 72.10.Fk)
• 75.20.En: Metals and alloys

• Journal: Acta Physica Polonica A
• Year: 2000
• Volume: 97
• Issue: 5
• Pages: 761-765

Dates

published

2000-05

Contributors

author

J. Toboła

• Faculty of Physics and Nuclear Techniques, Academy of Mining and Metallurgy, Al. Mickiewicza 30, 30-059 Kraków, Poland

author

B. Malaman

• Laboratoire de Chimie du Solide Mineral, Université Henri Poincaré-Nancy I, 54506 Vandoeuvre les Nancy Cedex, France

author

G. Venturini

• Laboratoire de Chimie du Solide Mineral, Université Henri Poincaré-Nancy I, 54506 Vandoeuvre les Nancy Cedex, France

Identifiers

DOI

10.12693/APhysPolA.97.761