Low lattice thermal conductivity and excellent thermoelectric behavior in Li3 Sb and Li3 Bi

Journal of Physics. Condensed Matter : an Institute of Physics Journal
Xiuxian YangSheng Meng

Abstract

Utilizing the first-principle calculations combined with Boltzmann transport equation and semiclassical analysis, we present a systematic investigation of the electron structure, lattice thermal conductivity [Formula: see text], Seebeck coefficient S, and the dimensionless figure of merit ZT of crystal Li3Sb and Li3Bi. The [Formula: see text] of 2.2 and 2.09 W m-1 K-1 are obtained at room temperature in Li3Sb and Li3Bi systems with the band gap of [Formula: see text] eV, respectively. The low [Formula: see text] can induce excellent thermoelectric properties. Thus the effect of doping on the transport properties has been judiciously researched and the maximum ZT of 2.42, 1.54 is obtained at 900 K in the p-type doped Li3Sb and p-type doped Li3Bi with the stable structures. Up to date, experimental finding of the maximum ZT is 2.6 at 850 K in the Cu2Se sample with 1 mol indium, our results are very close to this value. This letter provides insight into the thermal transport properties of Li3Sb and Li3Bi, meanwhile, supports that crystalline Li3Sb and Li3Bi may be promising materials for thermoelectric devices and application.

References

Mar 15, 1987·Physical Review. B, Condensed Matter·S H Wei, A Zunger
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Apr 20, 2004·Physical Review Letters·Daryoosh Vashaee, Ali Shakouri
Jan 26, 2008·Nature Materials·G Jeffrey Snyder, Eric S Toberer
Mar 14, 2008·Angewandte Chemie·Peter G BruceJean-Marie Tarascon
Jul 26, 2008·Nature Nanotechnology·Candace K ChanYi Cui
Jul 28, 2010·Advanced Materials·Christopher J VineisMercouri G Kanatzidis

❮ Previous
Next ❯

Citations


❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.