scholarly journals A type of robust superlattice type-I Weyl semimetal with four Weyl nodes

Nanoscale ◽  
2019 ◽  
Vol 11 (39) ◽  
pp. 18358-18366 ◽  
Author(s):  
Lijun Meng ◽  
Jiafang Wu ◽  
Jianxin Zhong ◽  
Rudolf A. Römer
Keyword(s):  
First Principles ◽  
Tight Binding ◽  
Type I ◽  
Topological Properties ◽  
Weyl Semimetal

We investigate the topological properties of the Janus superlattices WTeS and WTeSe by first-principles methods and Wannier-based tight-binding Hamiltonians.

Dirac–Weyl semimetal phase in noncentrosymmetric transition metal monochalcogenides MoTe and WTe

2019 ◽  
Vol 7 (39) ◽  
pp. 12151-12159 ◽  
Author(s):  
Lijun Meng ◽  
Jiafang Wu ◽  
Yizhi Li ◽  
Jianxin Zhong
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Tight Binding ◽  
Low Energy ◽  
Effective Model ◽  
First Principles Calculations ◽  
Topological Properties ◽  
Weyl Semimetal ◽  
Tight Binding Method

We investigated the topological properties of hexagonal transition metal monochalcogenides (TMMs) MoTe and WTe by combining first-principles calculations, the Wannier-based tight-binding method and the low energy k·p effective model.

scholarly journals Optoelectronic response of the type-I Weyl semimetals TaAs and NbAs from first principles

2020 ◽  
Vol 2 (1) ◽  
Author(s):  
Christina A. C. Garcia ◽  
Jennifer Coulter ◽  
Prineha Narang
Keyword(s):  
First Principles ◽  
Type I ◽  
Weyl Semimetals

scholarly journals Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Wei Luo ◽  
Yuma Nakamura ◽  
Jinseon Park ◽  
Mina Yoon
Keyword(s):  
Tight Binding ◽  
Three Dimensional ◽  
Interlayer Coupling ◽  
First Principles Calculation ◽  
Optimization Approach ◽  
Binding Model ◽  
Nodal Lines ◽  
Weyl Semimetal ◽  
Topological Quantum ◽  
First Time

AbstractRecent experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co)-based shandite and alloys, Co3MM’X2 (M/M’ = Ge, Sn, Pb, X = S, Se, Te), and identify stable structures with different Weyl phases. Using a tight-binding model, for the first time, we reveal that the physical origin of the nodal lines of a Co-based shandite structure is the interlayer coupling between Co atoms in different Kagome layers, while the number of Weyl points and their types are mainly governed by the interaction between Co and the metal atoms, Sn, Ge, and Pb. The Co3SnPbS2 alloy exhibits two distinguished topological phases, depending on the relative positions of the Sn and Pb atoms: a three-dimensional quantum anomalous Hall metal, and a MWSM phase with anomalous Hall conductivity (~1290 Ω−1 cm−1) that is larger than that of Co2Sn2S2. Our work reveals the physical mechanism of the origination of Weyl fermions in Co-based shandite structures and proposes topological quantum states with high thermal stability.

scholarly journals Colossal mid-infrared bulk photovoltaic effect in a type-I Weyl semimetal

2019 ◽  
Vol 18 (5) ◽  
pp. 471-475 ◽  
Author(s):  
Gavin B. Osterhoudt ◽  
Laura K. Diebel ◽  
Mason J. Gray ◽  
Xu Yang ◽  
John Stanco ◽  
...  
Keyword(s):  
Photovoltaic Effect ◽  
Type I ◽  
Mid Infrared ◽  
Weyl Semimetal

scholarly journals Geometries and Electronic States of Divacancy Defect in Finite-Size Hexagonal Graphene Flakes

2017 ◽  
Vol 2017 ◽  
pp. 1-7 ◽  
Author(s):  
Lili Liu ◽  
Shimou Chen
Keyword(s):  
Ground State ◽  
First Principles ◽  
Density Functional ◽  
Singlet State ◽  
Tight Binding ◽  
Finite Size ◽  
Electronic States ◽  
Closed Shell ◽  
Graphene Flakes ◽  
Self Consistent

The geometries and electronic properties of divacancies with two kinds of structures were investigated by the first-principles (U) B3LYP/STO-3G and self-consistent-charge density-functional tight-binding (SCC-DFTB) method. Different from the reported understanding of these properties of divacancy in graphene and carbon nanotubes, it was found that the ground state of the divacancy with 585 configurations is closed shell singlet state and much more stable than the 555777 configurations in the smaller graphene flakes, which is preferred to triplet state. But when the sizes of the graphene become larger, the 555777 defects will be more stable. In addition, the spin density properties of the both configurations are studied in this paper.

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