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

100%

Toboła J., Malaman B., Venturini G.

Acta Physica Polonica A

2000

vol. 97

issue 5

761-765

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.

^{119}Sn Hyperfine Fields in RMn_{6}Sn_{6} (R = Mg, Zr, Hf). Experimental and Theoretical Study

100%

Mazet T., Toboła J., Venturini G., Malaman B.

Acta Physica Polonica A

2000

vol. 97

issue 5

737-740

We performed both ^{119}Sn Möossbauer experiments and electronic structure calculations using the Korringa-Kohn-Rostoker method on the hexagonal RMn_{6}Sn_{6} (R = Mg, Zr, and Hf) compounds. According to previous neutron diffraction results two types of commensurate magnetic order are investigated: ferromagnetic for R = Mg and antiferromagnetic for R = Zr and Hf. From ^{119}Sn Möossbauer measurements, high transferred hyperfine fields on the tin nuclei are observed. The H_{hf} values are well supported by the Korringa-Kohn- Rostoker results. Moreover, the calculated μ_{Mn} are in good agreement with the neutron diffraction data. When observing the density of states, ZrMn_{6}Sn_{6} is found near semimetallic limit.

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2 Acta Physica Polonica A

2 2000

2 Malaman B.

2 Toboła J.

2 Venturini G.

1 Mazet T.

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

^{119}Sn Hyperfine Fields in RMn_{6}Sn_{6} (R = Mg, Zr, Hf). Experimental and Theoretical Study