Zobrazeno 1 - 10
of 129
pro vyhledávání: '"Ozolinš, Vidvuds"'
Autor:
Xia, Yi, Gaines II, Dale, He, Jiangang, Pal, Koushik, Kanatzidis, Mercouri G., Ozolins, Vidvuds, Wolverton, Chris
Publikováno v:
PNAS 2023 Vol. 120 No. 26 e2302541120
We propose a first-principles model of minimum lattice thermal conductivity ($\kappa_{\rm L}^{\rm min}$) based on a unified theoretical treatment of thermal transport in crystals and glasses. We apply this model to thousands of inorganic compounds an
Externí odkaz:
http://arxiv.org/abs/2306.11917
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more rigorous sca
Externí odkaz:
http://arxiv.org/abs/2010.08832
Publikováno v:
Phys. Rev. Lett. 125, 085901 (2020)
Materials based on cubic tetrahedrites (Cu$_{12}$Sb$_{4}$S$_{13}$) are useful thermoelectrics with unusual thermal and electrical transport properties, such as very low and nearly temperature-independent lattice thermal conductivity ($\kappa_{L}$). W
Externí odkaz:
http://arxiv.org/abs/2004.07343
Publikováno v:
Phys. Rev. Applied 14, 024064 (2020)
We report first-principles density-functional study of electron-phonon interactions and thermoelectric transport properties of full-Heusler compounds Sr$_{2}$BiAu and Sr$_{2}$SbAu. Our results show that ultrahigh intrinsic bulk thermoelectric perform
Externí odkaz:
http://arxiv.org/abs/2003.05506
Publikováno v:
Phys. Rev. B 100, 201401 (2019)
Electron-phonon interaction (EPI) is presumably detrimental for thermoelectric performance in semiconductors because it limits carrier mobility. Here we show that enhanced EPI with strong energy dependence offers an intrinsic pathway to significant i
Externí odkaz:
http://arxiv.org/abs/1906.00115
Autor:
Xia, Yi, Ozoliņš, Vidvuds
Crystalline compounds exhibiting low-frequency rattling phonons constitute an important class of high-performance thermoelectrics owning to their intrinsically very low lattice thermal conductivity ($\kappa_{l}$). Theoretical approach that is capable
Externí odkaz:
http://arxiv.org/abs/1903.08800
Publikováno v:
Phys. Rev. B 100, 184308 (2019)
{\it Ab initio\} calculations have been successfully used for evaluating lattice dynamical properties of solids within the (quasi-)harmonic approximation (i.e., assuming non-interacting phonons with infinite lifetimes), but it remains difficult to tr
Externí odkaz:
http://arxiv.org/abs/1805.08904
Publikováno v:
Phys. Rev. B 100, 184309 (2019)
We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacement, and linear response are routinely applied for phonon calculations
Externí odkaz:
http://arxiv.org/abs/1805.08903
Improving the figure of merit $zT$ of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the power factor is to align the band extremum and achieve high band degener
Externí odkaz:
http://arxiv.org/abs/1805.06433
Publikováno v:
Phys. Rev. Applied 11, 014058 (2019)
Using first-principles density-functional theory calculations, we predict the potential for unprecedented thermoelectric efficiency $zT=5$ at 800 K in $n$-type Ba$_{2}$BiAu full-Heusler compound. Such a high efficiency arises from an intrinsically ul
Externí odkaz:
http://arxiv.org/abs/1804.09392