New family of room temperature quantum spin Hall insulators in two-dimensional germanene films

2016 ◽  
Vol 4 (10) ◽  
pp. 2088-2094 ◽  
Author(s):  
Run-wu Zhang ◽  
Wei-xiao Ji ◽  
Chang-wen Zhang ◽  
Sheng-shi Li ◽  
Ping Li ◽  
...  
Keyword(s):  
First Principles ◽  
Topological Insulators ◽  
Room Temperature ◽  
Quantum Spin ◽  
Band Gaps ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
New Family ◽  
Temperature Applications ◽  
Quantum Spin Hall

Based on first-principles calculations, we predict that 2D germanene decorated with ethynyl-derivatives (GeC2X; X = H, F, Cl, Br, I) can be topological insulators with large band-gaps for room-temperature applications.

Quantum spin Hall effect in two-dimensional hydrogenated SnPb alloy films

2018 ◽  
Vol 20 (14) ◽  
pp. 9610-9615
Author(s):  
Miaojuan Ren ◽  
Min Yuan ◽  
Xinlian Chen ◽  
Weixiao Ji ◽  
Ping Li ◽  
...  
Keyword(s):  
Hall Effect ◽  
First Principles ◽  
Quantum Spin ◽  
Spin Hall Effect ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Band Structures ◽  
Alloy Films ◽  
Quantum Spin Hall Effect ◽  
Quantum Spin Hall

Using first-principles calculations, we studied the geometric and band structures of 20 possible configurations of buckled hydrogenated SnPb alloy (SnxPb8−xH8) films.

Quantum spin Hall insulator BiXH (XH = OH, SH) monolayers with a large bulk band gap

2018 ◽  
Vol 20 (19) ◽  
pp. 13632-13636 ◽  
Author(s):  
Xing-Kai Hu ◽  
Ji-Kai Lyu ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang ◽  
Wei-Xiao Ji ◽  
...  
Keyword(s):  
Band Gap ◽  
Topological Insulators ◽  
Room Temperature ◽  
Quantum Spin ◽  
Two Dimensional ◽  
Spintronic Devices ◽  
Large Bulk ◽  
Bulk Band ◽  
Quantum Spin Hall

A large bulk band gap is critical for the application of two-dimensional topological insulators (TIs) in spintronic devices operating at room temperature.

scholarly journals New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps

Nano Letters ◽  
2015 ◽  
Vol 15 (12) ◽  
pp. 7867-7872 ◽  
Author(s):  
Liujiang Zhou ◽  
Liangzhi Kou ◽  
Yan Sun ◽  
Claudia Felser ◽  
Feiming Hu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Quantum Spin ◽  
Metal Halide ◽  
Band Gaps ◽  
Two Dimensional ◽  
New Family ◽  
Quantum Spin Hall

Prediction of flatness-driven quantum spin Hall effect in functionalized germanene and stanene

2016 ◽  
Vol 18 (40) ◽  
pp. 28134-28139 ◽  
Author(s):  
Run-wu Zhang ◽  
Wei-xiao Ji ◽  
Chang-wen Zhang ◽  
Ping Li ◽  
Pei-ji Wang
Keyword(s):  
Hall Effect ◽  
First Principles ◽  
Quantum Spin ◽  
Spin Hall Effect ◽  
First Principles Calculations ◽  
Quantum Spin Hall Effect ◽  
Chemical Functionalization ◽  
Quantum Spin Hall

We used first-principles calculations to predict a class of new QSH phases for f-Ge(Sn)X2 films, which are useful for applications because of not only their sizable nontrivial bulk gaps, but also the tunability of the QSH states by chemical functionalization.

Widely tunable band gaps of graphdiyne: an ab initio study

2014 ◽  
Vol 16 (19) ◽  
pp. 8935-8939 ◽  
Author(s):  
Jahyun Koo ◽  
Minwoo Park ◽  
Seunghyun Hwang ◽  
Bing Huang ◽  
Byungryul Jang ◽  
...  
Keyword(s):  
Ab Initio ◽  
First Principles ◽  
Atomic Layer ◽  
Band Gaps ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Ab Initio Study ◽  
Carbon Networks ◽  
Hybrid Carbon

Functionalization of graphdiyne, a two-dimensional atomic layer of sp–sp2 hybrid carbon networks, was investigated through first-principles calculations.

scholarly journals Confinement Effect Driven Quantum Spin Hall Effect in Monolayer AuTe2Cl

SPIN ◽  
2019 ◽  
Vol 09 (04) ◽  
pp. 1940014
Author(s):  
Guyue Zhong ◽  
Q. Xie ◽  
Gang Xu
Keyword(s):  
First Principles ◽  
Three Dimensional ◽  
Bulk Sample ◽  
Quantum Spin ◽  
Confinement Effect ◽  
First Principles Calculations ◽  
Quantum Spin Hall Effect ◽  
Band Inversion ◽  
Topological Semimetal ◽  
Quantum Spin Hall

Based on first-principles calculations, we predict that the monolayer AuTe2Cl is a quantum spin Hall (QSH) insulator with a topological band gap about 10 meV. The three-dimensional (3D) AuTe2Cl is a topological semimetal that can be viewed as the monolayer stacking along [Formula: see text] axis. By studying the energy-level distribution of [Formula: see text] orbitals of Te atoms for the bulk and the monolayer, we find that the confinement effect driven [Formula: see text] band inversion is responsible for the topological nontrivial nature of monolayer. Since 3D bulk AuTe2Cl has already been experimentally synthesized, we expect that monolayer AuTe2Cl can be exfoliated from a bulk sample and the predicted QSH effect can be observed.

scholarly journals Niobium oxide dihalides NbOX2: a new family of two-dimensional van der Waals layered materials with intrinsic ferroelectricity and antiferroelectricity

2019 ◽  
Vol 4 (5) ◽  
pp. 1113-1123 ◽  
Author(s):  
Yinglu Jia ◽  
Min Zhao ◽  
Gaoyang Gou ◽  
Xiao Cheng Zeng ◽  
Ju Li
Keyword(s):  
First Principles ◽  
Niobium Oxide ◽  
Van Der Waals ◽  
Layered Materials ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
New Family ◽  
Ferroelectricity And Antiferroelectricity

A new group of two-dimensional layered materials with intrinsic ferroelectricity and antiferroelectricity are identified through first-principles calculations.

Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts

2018 ◽  
Vol 20 (27) ◽  
pp. 18348-18354 ◽  
Author(s):  
Wenzhou Chen ◽  
Yoshiyuki Kawazoe ◽  
Xingqiang Shi ◽  
Hui Pan
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
New Family

This work proposes a new family of 2D pentagonal CrX (X = S, Se or Te) monolayers for their applications into electronics, spintronics and photocatalysis, based on the first-principles calculations.

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