Abstract
We develop an ab initio computational approach to calculate the magneto-optical Kerr effect spectra of layered and nanogranular compounds as a function of several structural and geometrical parameters: (i) composition, (ii) film thickness, and (iii) position, thickness, and number of the nonmagnetic interlayers. The case of nanoparticles in a matrix is treated within the effective-medium approximation and compared to a model (alternating composition layers approximation) that considers different compounds in a thin-film multilayered structure. The magneto-optical filter-amplifier effect of a nonmagnetic overlayer or interlayer and the dependence of the Kerr response on the specific sample composition suggest that our computational approach is a good starting point to build up structures with the desired magneto-optical characteristics and can be used to interpret experimental spectra to single out the microscopic structure and composition of the sample. The model is applied to the Mn-Ge binary system, considering both Mn5 Ge3 as a film or in a nanoparticle arrangement and Mnx Ge1-x diluted semiconductor as possible phases in pure form or intermixed with Ge.
| Original language | English |
|---|---|
| Article number | 134411 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 78 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - Oct 14 2008 |
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ASJC Scopus subject areas
- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials
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First-principles modeling of the magneto-optical response in inhomogeneous systems. / Ricci, Fabio; D'Orazio, Franco; Continenza, Alessandra; Lucari, Franco; Freeman, Arthur J.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 78, No. 13, 134411, 14.10.2008.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - First-principles modeling of the magneto-optical response in inhomogeneous systems
AU - Ricci, Fabio
AU - D'Orazio, Franco
AU - Continenza, Alessandra
AU - Lucari, Franco
AU - Freeman, Arthur J.
PY - 2008/10/14
Y1 - 2008/10/14
N2 - We develop an ab initio computational approach to calculate the magneto-optical Kerr effect spectra of layered and nanogranular compounds as a function of several structural and geometrical parameters: (i) composition, (ii) film thickness, and (iii) position, thickness, and number of the nonmagnetic interlayers. The case of nanoparticles in a matrix is treated within the effective-medium approximation and compared to a model (alternating composition layers approximation) that considers different compounds in a thin-film multilayered structure. The magneto-optical filter-amplifier effect of a nonmagnetic overlayer or interlayer and the dependence of the Kerr response on the specific sample composition suggest that our computational approach is a good starting point to build up structures with the desired magneto-optical characteristics and can be used to interpret experimental spectra to single out the microscopic structure and composition of the sample. The model is applied to the Mn-Ge binary system, considering both Mn5 Ge3 as a film or in a nanoparticle arrangement and Mnx Ge1-x diluted semiconductor as possible phases in pure form or intermixed with Ge.
AB - We develop an ab initio computational approach to calculate the magneto-optical Kerr effect spectra of layered and nanogranular compounds as a function of several structural and geometrical parameters: (i) composition, (ii) film thickness, and (iii) position, thickness, and number of the nonmagnetic interlayers. The case of nanoparticles in a matrix is treated within the effective-medium approximation and compared to a model (alternating composition layers approximation) that considers different compounds in a thin-film multilayered structure. The magneto-optical filter-amplifier effect of a nonmagnetic overlayer or interlayer and the dependence of the Kerr response on the specific sample composition suggest that our computational approach is a good starting point to build up structures with the desired magneto-optical characteristics and can be used to interpret experimental spectra to single out the microscopic structure and composition of the sample. The model is applied to the Mn-Ge binary system, considering both Mn5 Ge3 as a film or in a nanoparticle arrangement and Mnx Ge1-x diluted semiconductor as possible phases in pure form or intermixed with Ge.
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U2 - 10.1103/PhysRevB.78.134411
DO - 10.1103/PhysRevB.78.134411
M3 - Article
AN - SCOPUS:55149101959
VL - 78
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 13
M1 - 134411
ER -