Two-dimensional silicon crystals with sizable band gaps and ultrahigh carrier mobility

Nanoscale ◽  
2018 ◽  
Vol 10 (3) ◽  
pp. 1265-1271 ◽  
Author(s):  
Zhiwen Zhuo ◽  
Xiaojun Wu ◽  
Jinlong Yang
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Band Gaps ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Silicon Crystals

Two-dimensional silicon crystals with sizeable band gaps and ultrahigh carrier mobility are reported by using first-principles calculations.

Semiconducting two-dimensional group VA–VA haeckelite compounds with superior carrier mobility

2020 ◽  
Vol 22 (21) ◽  
pp. 12260-12266
Author(s):  
Xin-Yue Lin ◽  
Fan-Shun Meng ◽  
Qi-Chao Liu ◽  
Qi Xue ◽  
Hui Zhang
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Single Layer ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Group ◽  
Binary Group

A series of two-dimensional (2D) single-layer binary group VA–VA crystals, where VA represents P, As, Sb and Bi, are explored by the first-principles calculations.

Novel two-dimensional semiconductor SnP3: high stability, tunable bandgaps and high carrier mobility explored using first-principles calculations

2018 ◽  
Vol 6 (25) ◽  
pp. 11890-11897 ◽  
Author(s):  
Songsong Sun ◽  
Fanchen Meng ◽  
Hongyan Wang ◽  
Hui Wang ◽  
Yuxiang Ni
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
High Stability ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
2D Material ◽  
High Carrier Mobility ◽  
High Carrier

A novel semiconducting 2D material based on monolayer and bilayer SnP3 is proposed using first-principles calculations.

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.

Penta-MX2 (M = Ni, Pd and Pt; X = P and As) monolayers: direct band-gap semiconductors with high carrier mobility

2019 ◽  
Vol 7 (12) ◽  
pp. 3569-3575 ◽  
Author(s):  
Shifeng Qian ◽  
Xiaowei Sheng ◽  
Xian Xu ◽  
Yuxiang Wu ◽  
Ning Lu ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Ring Network ◽  
Direct Band Gap ◽  
Direct Band ◽  
High Carrier Mobility ◽  
High Carrier

Two-dimensional binary MX2 (M = Ni, Pd and Pt; X = P and As) exhibiting a beautiful pentagonal ring network is discussed through first principles calculations.

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.

Red phosphorus in its two-dimensional limit: novel clathrates with varying band gaps and superior chemical stabilities

Nanoscale ◽  
2018 ◽  
Vol 10 (29) ◽  
pp. 13969-13975 ◽  
Author(s):  
Zhili Zhu ◽  
Ping Cui ◽  
Xiaolin Cai ◽  
Mengjiao Xia ◽  
Yu Jia ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Chemical Properties ◽  
Band Gaps ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Red Phosphorus ◽  
Functional Theory ◽  
And Chemical Properties

First-principles calculations within density functional theory reveal the preferred structures of red phosphorus in the two-dimensional (2D) limit to be porous with intriguing structural, electronic, and chemical properties.

Prediction of high carrier mobility for a novel two-dimensional semiconductor of BC6N: first principles calculations

2020 ◽  
Vol 8 (17) ◽  
pp. 5882-5893 ◽  
Author(s):  
Li-Bin Shi ◽  
Mei Yang ◽  
Shuo Cao ◽  
Qi You ◽  
Ya-Jing Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
High Carrier Mobility ◽  
High Carrier

First principles calculations are performed to predict phonon-limited carrier mobility for a novel graphene-like semiconductor with BC6N stoichiometry.

scholarly journals Dipole-induced Ohmic contacts between monolayer Janus MoSSe and bulk metals

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Ning Zhao ◽  
Udo Schwingenschlögl
Keyword(s):  
First Principles ◽  
Ohmic Contacts ◽  
Electrode Materials ◽  
Electronic Device ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Fermi Level Pinning ◽  
Common Electrode ◽  
Two Sides ◽  
Metallic Electrodes

AbstractUtilizing a two-dimensional material in an electronic device as channel layer inevitably involves the formation of contacts with metallic electrodes. As these contacts can dramatically affect the behavior of the device, we study the electronic properties of monolayer Janus MoSSe in contact with different metallic electrodes by first-principles calculations, focusing on the differences in the characteristics of contacts with the two sides of MoSSe. In particular, we demonstrate that the Fermi level pinning is different for the two sides of MoSSe, with the magnitude resembling that of MoS2 or MoSe2, while both sides can form Ohmic contacts with common electrode materials without any further adaptation, which is an outstanding advantage over MoS2 and MoSe2.

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