A4: Theory - bulk materials

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A4: Theory - bulk materials

First-principles investigation of filled skutterudite CeRu4P12 compound for thermoelectric applications.

M.Berrahal1,M.Ameri2,H.Lidjici1

First-principles study on structural and thermoelectric properties of Al- and Sb-doped Mg2Si

N. Hirayama1, T. Iida1, H. Funashima2, S. Morioka1, M. Sakamoto1, K. Nishio1, Y. Kogo1, Y. Takanashi1, and N. Hamada1

Functionally graded thermoelectric materials with arbitrary property gradations: a one-dimensional semi-analytical study

Z.-H. Jin and T. T. Travis

Importance of non-parabolic band effects in the thermoelectricproperties of semiconductors

Xin Chen, David Parker, and David J. Singh

Lattice Thermal Conductivity for Bulk Materials from Ab Initio Phonon Calculations and the Modified Callaway Model

Jiong Yang1, Ping Wei1, Jihui Yang1, and Wenqing Zhang2

Material dependence of sound velocity and minimum phonon thermal conductivity from first-principles

Yukari Katsura1, Hidenori Takagi1,2

Mechanical properties and thermal expansion of Ni-Ti-Sn Heusler and half-Heusler materials from first principles calculations and experiments 

P.Jund, P. Hermet, R.M. Ayral, E. Theron, P.G. Yot, F. Salles

Next-generation rock-salt thermoelectric materials

B. Ortiz, E. Toberer, V. Stevanovic, J. Yan, S. Lany, H. Peng, P. Parilla, A. Zakutayev

Phonon Diamagnetism

Joseph P. Heremans, Hyungyu Jin, Oscar D. Restrepo, Nikolas Antolin, Roberto C. Myers  and Wolfgang Windl

Phonon scattering from point defects and lattice thermal transport in lead chalcogenides and other thermoelectric materials

L. Lindsay1, D. A. Broido2, N. Katcho3 and N. Mingo3

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