48 research outputs found
A review of the optical properties of alloys and intermetallics for plasmonics
Alternative materials are required to enhance the efficacy of plasmonic
devices. We discuss the optical properties of a number of alloys, doped metals,
intermetallics, silicides, metallic glasses and high pressure materials. We
conclude that due to the probability of low frequency interband transitions,
materials with partially occupied d-states perform poorly as plasmonic
materials, ruling out many alloys, intermetallics and silicides as viable. The
increased probability of electron-electron and electron-phonon scattering rules
out many doped and glassy metals.Comment: 26 pages, 10 figures, 3 table
Effective modelling of the Seebeck coefficient of Fe2VAl
Previous first-principles calculations have failed to reproduce many of the key thermoelectric features of Fe2VAl, e.g. the maximum values of the Seebeck coefficientSand its asymmetry with respect to the chemical potential. Also, previous theoretical predictions suggested that the pseudo band gap of Fe2VAl switches from indirect to direct upon doping. In this work, we report first-principles calculations that correctly reproduce the experimentally measured thermoelectric properties of Fe2VAl. This is achieved by adding a larger HubbardUterm to V atoms than to Fe atoms and including a scissors operator afterwards. As a result, bulk Fe2VAl is modelled as a gapless semiconductor with maximumSvalues of 76 and -158 μV/K forp- andn-type, respectively, which agree well with the experimental measurements
Erratum to: Electronic Structure and Optical Properties of the Mn2CrAl Heusler Alloy (Physics of Metals and Metallography, (2020), 121, 6, (532-536), 10.1134/S0031918X20060125)
An Erratum to this paper has been published: https://doi.org/10.1134/S0031918X21090155. © 2021, Pleiades Publishing, Ltd.Department of Science and Technology New Delhi, India, (19-52-45008_IND-а—INT/RUS/RFBR/379)Russian Foundation for Basic Research, РФФИ2. Page 535, Section FUNDING, the number of the funding project should read as follows: Russian Foundation for Basic Research—Department of Science and Technology New Delhi, India (project no. 19-52-45008_IND-а—INT/RUS/RFBR/379)