Electronic transport in Al–Mn systems with icosahedral clusters

Solbrig, H.; Landauro, C. V.; Löser, A

doi:10.1016/s0921-5093(00)01116-3

Cited by 9 publications

(8 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For finite temperature, the effect of the Fermi-Dirac distribution on transport properties was studied in the literature [66][67][68][69]. But, theses analyzes could not explain the unconventional conduction of quasicrystals and related alloys (very high resistivity at low temperature, and conductivity that increases strongly when defects or temperature increases).…”

Section: Static Conductivity Of Approximants In Relaxation Time Appromentioning

confidence: 99%

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Breakdown of the semiclassical model

Laissardière¹,

Julien²,

Mayou³

2008

Philosophical Magazine

View full text Add to dashboard Cite

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semiconductors. Physical systems that are beyond the range of applicability of this theory are thus of fundamental interest. It appears that in quasicrystals and related complex metallic alloys, a new type of break-down of this theory operates. This phenomenon is related to the specific propagation of electrons. We develop a theory of quantum transport that applies to a normal ballistic law but also to these specific diffusion laws. As we show phenomenological models based on this theory describe correctly the anomalous conductivity in quasicrystals. Ab-initio calculations performed on approximants confirm also the validity of this anomalous quantum diffusion scheme. This provides us with an ab-initio model of transport in approximants such as α-AlMnSi and AlCuFe 1/1 cubic approximant.

show abstract

Section: Static Conductivity Of Approximants In Relaxation Time Appromentioning

confidence: 99%

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Breakdown of the semiclassical model

Laissardière¹,

Julien²,

Mayou³

2008

Philosophical Magazine

View full text Add to dashboard Cite

show abstract

“…We usually decreased O max to the extent possible, without using empty spheres of radii rՇ0.6 Å. Ab initio electronic structure calculations for the Elser-Henley model have been performed by Fujiwara, 18,36 -40 by Fujiwara and co-workers, 19,41,42 and by Solbrig and co-workers. 20,43 They use the LMTO method at various levels of approximation. As a consequence, the calculated DOSs have different levels of accuracy.…”

Section: ͑1͒mentioning

confidence: 99%

“…1͑b͔͒ with 45 inequivalent k points in the self-consistent calculation and 741 inequivalent k points for the final result. 63 Solbrig et al 20 include the combined-correction term in the Hamiltonian. In addition they assume that some atoms are equivalent even though they are not related by symmetry.…”

Section: ͑1͒mentioning

confidence: 99%

See 1 more Smart Citation

Detailedab initioelectronic structure study of two approximants to Al-Mn based icosahedral quasicrystals

Zijlstra

Bose

2003

Phys. Rev. B

View full text Add to dashboard Cite

The electronic structure of three available models of ␣-AlMnSi and of three models of a hypothetical approximant in the Al-Pd-Mn system are studied by means of the linear muffin-tin orbital method in the atomic sphere approximation. The effect of the atomic sphere approximation is investigated. The energy resolution of our best calculation is estimated to be 50-100 meV. By comparing the available models the importance of accurate atomic positions for the electronic structure is demonstrated. In the density of states of ␣-AlMnSi and the AlPdMn approximant a wide pseudogap ͑ϳ1 eV͒ is found near the Fermi energy. Total energies for various possible positions of the Si atoms in ␣-AlMnSi are compared. It is found to be favorable for the Si atoms to partially occupy three of the classes of inequivalent Al atoms. The full charge density of ␣-AlMnSi is calculated and compared with available experimental results. In contrast to the experimental results the strongest bonding is found to be between Si and Mn atoms.

show abstract

“…Such shifts with respect to F sc are of the order of ϳ100 meV and are caused by deviations in the stoichiometry or by defects in both structure and decoration. 32,52 Note that the transport coefficients, Eqs. ͑3͒-͑6͒, can be obtained on integrating numerically the kinetic coefficients, Eq.…”

Section: ͑7͒mentioning

confidence: 99%

Analytical expressions for the transport coefficients of icosahedral quasicrystals

2003

View full text Add to dashboard Cite

We investigate by analytical means the electronic transport properties of approximants and quasicrystals. The spectral resistivity is modeled by Lorentz functions in agreement with realistic ab initio calculations ͑linear muffin-tin orbital basis, Kubo-Greenwood formula͒ for low-order approximants. The analytical expressions for the transport coefficients compare well with both numerical calculations and experiments. Thus, the temperature-dependent conductivity, thermopower, electronic thermal conductivity, and Lorenz number of certain approximants and quasicrystals can be consistently explained.

show abstract

Electronic transport in Al–Mn systems with icosahedral clusters

Cited by 9 publications

References 17 publications

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Breakdown of the semiclassical model

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Breakdown of the semiclassical model

Detailedab initioelectronic structure study of two approximants to Al-Mn based icosahedral quasicrystals

Analytical expressions for the transport coefficients of icosahedral quasicrystals

Contact Info

Product

Resources

About