Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

Large Seebeck Coefficients of Fe2TiSn and Fe2TiSi: First-Principles Study

(2013) Shin Yabuuchi et al.   Applied Physics Express

When thermoelectrics reached the nanoscale

(2013) Joseph P. Heremans et al.   Nature Nanotechnology

High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands

(2013) David Parker et al.   PHYSICAL REVIEW LETTERS

A high-mobility two-dimensional electron gas at the spinel/perovskite interface of γ-Al2O3/SrTiO3

(2013) Y. Z. Chen et al.   Nature Communications

Room-Temperature Giant Persistent Photoconductivity in SrTiO3/LaAlO3 Heterostructures

(2012) Antonello Tebano et al.   ACS Nano

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermoelectric properties of tungsten-substituted Heusler Fe2VAl alloy

(2012) M. Mikami et al.   JOURNAL OF APPLIED PHYSICS

Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates

(2012) Hailong Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization and Modeling of Precipitation Kinetics in a Fe-Si-Ti Alloy

(2012) Malika Perrier et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

High-performance bulk thermoelectrics with all-scale hierarchical architectures

(2012) Kanishka Biswas et al.   NATURE

High throughput density functional investigations of the stability, electronic structure and thermoelectric properties of binary silicides

(2012) Ingo Opahle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

(2012) Geoffroy Hautier et al.   PHYSICAL REVIEW B

Superconductivity and magnetism in 11-structure iron chalcogenides in relation to the iron pnictides

(2012) David Joseph Singh   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Dramatic enhancement of thermoelectric power factor in PbTe:Cr co-doped with iodine

(2011) Biplab Paul et al.   APPLIED PHYSICS LETTERS

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

Convergence of electronic bands for high performance bulk thermoelectrics

(2011) Yanzhong Pei et al.   NATURE

First-principles calculations of the structural and dynamical properties of ferroelectric YMnO3

(2011) Alina Prikockytė et al.   PHYSICAL REVIEW B

Electronic and thermoelectric properties of Fe2VAl: The role of defects and disorder

(2011) Daniel I. Bilc et al.   PHYSICAL REVIEW B

Assessing the Thermoelectric Properties of Sintered Compounds via High-ThroughputAb-InitioCalculations

(2011) Shidong Wang et al.   Physical Review X

Nanostructured Thermoelectrics: Big Efficiency Gains from Small Features

(2010) Christopher J. Vineis et al.   ADVANCED MATERIALS

Nanostructured Thermoelectrics: The New Paradigm?†

(2009) Mercouri G. Kanatzidis   CHEMISTRY OF MATERIALS

Development of a Thermoelectric Module Using the Heusler Alloy Fe2VAl

(2009) M. Mikami et al.   JOURNAL OF ELECTRONIC MATERIALS

Electronic structure and thermodynamic properties ofFe2VGa

(2009) Andrzej Ślebarski et al.   PHYSICAL REVIEW B

Model of transport properties of thermoelectric nanocomposite materials

(2009) A. Popescu et al.   PHYSICAL REVIEW B

Hybrid functional study of prototypical multiferroic bismuth ferrite

(2009) M. Goffinet et al.   PHYSICAL REVIEW B

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

Chemical pressure effect on the transport and electronic band structure ofFe2V1−xNbxAl

(2008) C. S. Lue et al.   PHYSICAL REVIEW B

Electronic transport in Heusler-typeFe2VAl1−xMxalloys(M=B,In,Si)

(2008) M. Vasundhara et al.   PHYSICAL REVIEW B

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

(2008) D. I. Bilc et al.   PHYSICAL REVIEW B

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE