A4: Theory - bulk materials

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A4: Theory - bulk materials

Ab Initio study of Nano-structured Half-Heusler Alloys

Alexander Page1, Anton van der Ven2, Pierre F. P. Poudeu3, Ctirad Uher1

Effects of Van Der Waals Bonding on the Compressive Mechanical Behavior of Bi2Te3 Bulk: a Molecular Dynamics Study

Ben Huang1, Xuqiu Yang1, Lisheng Liu1, and Pengcheng Zhai1, 2

Enhanced Thermopower in Bulk Materials with the Rashba Effect

Lihua Wu1,2,3,  Jiong Yang1, Jihui Yang1, Wenqing Zhang2 and Lidong Chen2

Enhancing thermoelectric performance of PbTe-based compounds by substituting elements: a first-principles study

Elad Joseph and Yaron Amouyal

Influence of Nanopores on the Mechanical Behavior of Crystalline CoSb3: A Molecular Dynamics Study

WENJUAN LI1, GUODONG LI2, XUQIU YANG1, LISHENG LIU1, PENGCHENG ZHAI2*

Influence of oxygen on the thermoelectric properties  of aerosol-deposited CuFeO2

Thomas Stöcker, Jörg Exner, Ralf Moos

Topological electronic structure and thermoelectric properties of  GeBi2Te4 : an ab-initio study

Bahadur Singh1, S. Auluck2 and R. Prasad1

An online Boltzmann transport simulator for thermoelectric materials research and education

Je-Hyeong Bahk, Kevin Margatan, Kazuaki Yazawa, and Ali Shakouri

Enhanced thermoelectric figure of merit through the reduction of bipolar thermal conductivity in nanostructured materials

Je-Hyeong Bahk and Ali Shakouri

 Prediction of high thermoelectric figure-of-merit of type-VIII clathrate Si46

Payam Norouzzadeh1, Charles W. Myles2, Daryoosh Vashaee3

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