The Role of Delocalized Chemical Bonding in Square-Net-Based Topological Semimetals

Journal of the American Chemical Society
Sebastian KlemenzLeslie M Schoop

Abstract

Principles that predict reactions or properties of materials define the discipline of chemistry. In this work, we derive chemical rules, based on atomic distances and chemical bond character, which predict topological materials in compounds that feature the structural motif of a square-net. Using these rules, we identify over 300 potential new topological materials. We show that simple chemical heuristics can be a powerful tool to characterize topological matter. In contrast to previous database-driven materials' categorization, our approach allows us to identify candidates that are alloys, solid-solutions, or compounds with statistical vacancies. While previous material searches relied on density functional theory, our approach is not limited by this method and could also be used to discover magnetic and statistically disordered topological semimetals.

References

Nov 15, 1995·Physical Review. B, Condensed Matter·E DiMasiS Lee
May 5, 2005·Journal of the American Chemical Society·Christos MalliakasMercouri G Kanatzidis
Sep 28, 2006·Journal of the American Chemical Society·Christos D Malliakas, Mercouri G Kanatzidis
Sep 22, 2007·Science·Markus KönigShou-Cheng Zhang
Oct 26, 2012·Inorganic Chemistry·W Adam PhelanJulia Y Chan
Dec 30, 2014·Journal of the American Chemical Society·Elizabeth M SeibelRobert J Cava
Jun 1, 2016·Nature Communications·Leslie M SchoopChristian R Ast
Jul 16, 2016·Physical Review Letters·Jin HuZhiqiang Mao
Jan 21, 2017·Nature Communications·Chunhui ZhuShining Zhu
Jul 21, 2017·Nature·Barry BradlynB Andrei Bernevig
Mar 2, 2018·Science Advances·Leslie M SchoopBettina V Lotsch
Sep 7, 2018·Scientific Reports·M Mofazzel HosenMadhab Neupane
Sep 27, 2018·Journal of the American Chemical Society·Xiuwen ZhangAlex Zunger
Mar 1, 2019·Nature·M G VergnioryZhijun Wang
Mar 1, 2019·Nature·Tiantian ZhangChen Fang
May 30, 2019·ACS Central Science·Tanja Scholz, Bettina V Lotsch
May 30, 2019·ACS Central Science·Xin GuiRobert J Cava
Aug 2, 2019·Nature Communications·Sergey BorisenkoRobert J Cava
Aug 17, 2019·Science·Sheng RanNicholas P Butch
Nov 8, 2019·Journal of the American Chemical Society·Jason F KhouryMercouri G Kanatzidis
Feb 23, 2020·Science Advances·Shiming LeiLeslie M Schoop

❮ Previous
Next ❯

Citations

Feb 20, 2021·Chemical Reviews·Hideo Hosono, Masaaki Kitano
Nov 20, 2020·The Journal of Physical Chemistry Letters·Subodh C TiwariPaulo S Branicio
Apr 28, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Kota MatsumotoTomoteru Fukumura
May 19, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Georgiy AkopovKirill Kovnir
Jun 18, 2021·Advanced Materials·Shiming LeiLeslie M Schoop
Jul 14, 2020·The Journal of Physical Chemistry Letters·Robert J KirbyLeslie M Schoop

❮ 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.