First-principles insights into thermoelectric properties of topological nontrivial semimetal LiAuTe material

Efficient calculation of carrier scattering rates from first principles

(2021) Alex M. Ganose et al.   Nature Communications

Ab-initio investigation on the electronic and thermoelectric properties of new half-Heusler compounds KBiX (X = Ba and Sr)

(2021) Z F Meghoufel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermoelectric Transport Parameters of p‐Type RuVAs and RuNbAs Heusler Alloys

(2020) Fatiha Cherifi et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Perturbation approach to ab initio effective mass calculations

(2020) Oleg Rubel et al.   COMPUTER PHYSICS COMMUNICATIONS

Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials

(2019) Vikram et al.   Journal of Physical Chemistry C

Electrical Property Dominated Promising Half-Heusler Thermoelectrics through High-Throughput Material Computations

(2019) Shuping Guo et al.   Journal of Physical Chemistry C

Transport and thermoelectric properties of Hf-doped FeVSb half-Heusler alloys

(2019) A. El-Khouly et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Impact of Ni content on the thermoelectric properties of half-Heusler TiNiSn

(2018) Yinglu Tang et al.   Energy & Environmental Science

Semi-metals as potential thermoelectric materials

(2018) Maxime Markov et al.   Scientific Reports

Dramatically improving thermoelectric performance of topological half-Heusler compound LuPtSb via hydrostatic pressure

(2018) Shan Huang et al.   Journal of Materials Chemistry A

d0-d half-Heusler alloys: A potential class of advanced spintronic materials

(2018) A. Dehghan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Two prospective Li-based half-Heusler alloys for spintronic applications based on structural stability and spin–orbit effect

(2017) R. L. Zhang et al.   JOURNAL OF APPLIED PHYSICS

Topological phase transition in half-Heusler compounds HfIrX (X = As, Sb, Bi)

(2016) Guangtao Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Thermoelectric properties of half-Heusler topological insulators MPtBi (M = Sc, Y, La) induced by strain

(2016) Guangqian Ding et al.   JOURNAL OF APPLIED PHYSICS

Distributions of phonon lifetimes in Brillouin zones

(2015) Atsushi Togo et al.   PHYSICAL REVIEW B

High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting

(2015) Tiejun Zhu et al.   Advanced Energy Materials

Thermoelectric Modules Based on Half-Heusler Materials Produced in Large Quantities

(2013) Kilian Bartholomé et al.   JOURNAL OF ELECTRONIC MATERIALS

Topological insulators and thermoelectric materials

(2012) Lukas Müchler et al.   Physica Status Solidi-Rapid Research Letters

Prediction of Weak Topological Insulators in Layered Semiconductors

(2012) Binghai Yan et al.   PHYSICAL REVIEW LETTERS

High figure of merit in (Ti,Zr,Hf)NiSn half-Heusler alloys

(2012) S. Populoh et al.   SCRIPTA MATERIALIA

Half-Heusler compounds: novel materials for energy and spintronic applications

(2012) F Casper et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Phonon engineering through crystal chemistry

(2011) Eric S. Toberer et al.   JOURNAL OF MATERIALS CHEMISTRY

Topological Insulators in Ternary Compounds with a Honeycomb Lattice

(2011) Hai-Jun Zhang et al.   PHYSICAL REVIEW LETTERS

Tunable multifunctional topological insulators in ternary Heusler compounds

(2010) Stanislav Chadov et al.   NATURE MATERIALS

The quantum spin Hall effect and topological insulators

(2010) Xiao-Liang Qi et al.   PHYSICS TODAY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Propagation velocity of longitudinal and transverse acoustic waves and anharmonicity of lattice oscillations

(2009) D. S. Sanditov et al.   TECHNICAL PHYSICS

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties

(2008) Jiong Yang et al.   ADVANCED FUNCTIONAL MATERIALS

Complex thermoelectric materials

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