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A4: Theory - bulk materials

Ambigous role of spin-orbit interactions in thermoelectric properties of Mg2X (X= Si, Ge, Sn) compounds

K. Kutorasinski, B. Wiendlocha, S. Kaprzyk, J. Tobola

Application of Bloch Spectral Functions for studying resonant impurities in thermoelectric materials.

Bartek Wiendlocha1,2

Bipolar effects on thermoelectric properties

Hyun-Sik Kim†, Zachary M. Gibbs†, Heng Wang, G. Jeffrey Snyder(† These authors contributed equally to this work)

Electronic Transport Calculations for Thermoelectrics Using Density Functional Theory: Application to High-Performing Cu-Doped Zinc Antimonides

Alireza Faghaninia and Cynthia Lo

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

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