Computational prediction of a high ZT of n-type Mg3Sb2-based compounds with isotropic thermoelectric conduction performance

High thermoelectric performance of α-MgAgSb for power generation

(2018) Zihang Liu et al.   Energy & Environmental Science

The Relation between the Electronic Structure and Thermoelectric Properties for Zintl Compounds Mg3Sb2

(2017) Bin Xu et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass

(2017) Teng Fang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Discovery of high-performance low-cost n-type Mg3Sb2-based thermoelectric materials with multi-valley conduction bands

(2017) Jiawei Zhang et al.   Nature Communications

Simultaneous improvement of power factor and thermal conductivity via Ag doping in p-type Mg3Sb2 thermoelectric materials

(2017) Lirong Song et al.   Journal of Materials Chemistry A

Isotropic Conduction Network and Defect Chemistry in Mg3+δSb2-Based Layered Zintl Compounds with High Thermoelectric Performance

(2016) Hiromasa Tamaki et al.   ADVANCED MATERIALS

Designing high-performance layered thermoelectric materials through orbital engineering

(2016) Jiawei Zhang et al.   Nature Communications

Electronic structure and thermoelectric properties of p-type half-Heusler compound NbFeSb: a first-principles study

(2016) Teng Fang et al.   RSC Advances

A first-principles study on the phonon transport in layered BiCuOSe

(2016) Hezhu Shao et al.   Scientific Reports

Thermoelectric properties of Na-doped Zintl compound: Mg 3− x Na x Sb 2

(2015) Jing Shuai et al.   ACTA MATERIALIA

Distributions of phonon lifetimes in Brillouin zones

(2015) Atsushi Togo et al.   PHYSICAL REVIEW B

Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator

(2015) Paulo V. C. Medeiros et al.   PHYSICAL REVIEW B

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Charting the complete elastic properties of inorganic crystalline compounds

(2015) Maarten de Jong et al.   Scientific Data

First-principle study on lithium intercalated antimonides Ag3Sb and Mg3Sb2

(2014) Thiyagarajan Gnanapoongothai et al.   IONICS

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding

(2014) Paulo V. C. Medeiros et al.   PHYSICAL REVIEW B

Enhancing thermoelectric properties of a p-type Mg3Sb2- based Zintl phase compound by Pb substitution in the anionic framework

(2014) A. Bhardwaj et al.   RSC Advances

Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U

(2013) Yubo Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

On the Thermoelectric Properties of Zintl Compounds Mg3Bi2−x Pn x (Pn = P and Sb)

(2013) V. Ponnambalam et al.   JOURNAL OF ELECTRONIC MATERIALS

Mg3Sb2-based Zintl compound: a non-toxic, inexpensive and abundant thermoelectric material for power generation

(2013) A. Bhardwaj et al.   RSC Advances

Validity of rigid band approximation of PbTe thermoelectric materials

(2013) Yoshiki Takagiwa et al.   APL Materials

Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors

(2012) Mal-Soon Lee et al.   PHYSICAL REVIEW B

Lattice dynamics and elastic properties of Mg3As2 and Mg3Sb2 compounds from first-principles calculations

(2010) Jun-ichi Tani et al.   PHYSICA B-CONDENSED MATTER

Synthesis and high thermoelectric efficiency of Zintl phase YbCd2−xZnxSb2

(2009) Xiao-Jun Wang et al.   APPLIED PHYSICS LETTERS

Thermodynamic properties of PbTe, PbSe, and PbS: First-principles study

(2009) Yi Zhang et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

A new type of thermoelectric material, EuZn2Sb2

(2008) Hui Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Complex thermoelectric materials

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

Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems

(2008) Lon E. Bell   SCIENCE