Exploring electronic and valley properties of single-layer SMSiN2 (M = Mo, W): a first-principles study on two-dimensional Janus materials

文献信息

发布日期 2023-11-20
DOI 10.1039/D3CP04283A
影响因子 3.676
作者

Hongyan Lu


查看原文

摘要

In this study, we employ first-principles calculations to explore the electronic and valleytronic properties of single-layer (SL) SMSiN2 (M = Mo, W), which are two-dimensional Janus materials with strong spin–orbit coupling. Our findings indicate that SL SMoSiN2/SWSiN2 possess a direct/indirect band gap, where the valence band maximum is situated at the K/K′ point, giving rise to the formation of degenerate valleys. When considering spin–orbit coupling, SMoSiN2 and SWSiN2 demonstrate intriguing valley spin splitting in their valleys, with a maximum splitting of up to 0.14/0.39 eV in the valence bands. By implementing magnetic doping with V and Cr, we provide a demonstration that valley polarization could be realized in SL SMSiN2. Moreover, the findings reveal high carrier mobility in SL SMSiN2, notably in SWSiN2, where hole carriers can achieve a remarkable mobility of up to 7.98 × 103 cm2 V−1 s−1 along the zigzag direction. Furthermore, our observations suggest that strain can be effectively utilized to manipulate the character and magnitude of the band gap, as well as the valley spin splitting in these materials.

相关文献

Ionic liquid silver salt complexes for propene/propane separation

Friederike Agel, Fee Pitsch, Florian Felix Krull, Peter Schulz, Matthias Wessling, Thomas Melin, Peter Wasserscheid

2010-11-04 Paper

DOI: 10.1039/C0CP01104E

Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses

Caroline Gollub, Markus Kowalewski, Sebastian Thallmair, Regina de Vivie-Riedle

2010-11-16 Paper

DOI: 10.1039/C0CP01657H

Water-in-oil-in-water double nanoemulsion induced by CO2

Yueju Zhao, Jianling Zhang, Qian Wang, Jianshen Li, Buxing Han

2010-10-29 Paper

DOI: 10.1039/C0CP00869A

Front cover

Cover

DOI: 10.1039/B925427G

Contents

Front/Back Matter

DOI: 10.1039/C003359F

Back matter

Front/Back Matter

DOI: 10.1039/B926011K

A study of alcohol-induced gelation of β-lactoglobulin with small-angle neutron scattering, neutron spin echo, and dynamic light scattering measurements

Koji Yoshida, Toshio Yamaguchi, Noboru Osaka, Hitoshi Endo, Mitsuhiro Shibayama

2010-02-11 Paper

DOI: 10.1039/B920187D

Back cover

Front/Back Matter

DOI: 10.1039/B925430G

ZnO-based dye solar cell with pure ionic-liquid electrolyte and organic sensitizer: the relevance of the dye–oxide interaction in an ionic-liquid medium

E. Guillén, J. Idígoras, T. Berger, J. A. Anta, C. Fernández-Lorenzo, R. Alcántara, J. Navas, J. Martín-Calleja

2010-10-26 Paper

DOI: 10.1039/C0CP00507J

您可能还喜欢

化合物问答

N-2,2-丙烯基-2-丙烯酰胺(CAS号:2555-13-7)通常如何合成?

N-2,2-丙烯基-2-丙烯酰胺通常通过丙烯酰胺与丙烯基卤化物的缩合反应合成。该反应通常在温和的条件下进行,使用适量的碱如吡啶作为催化剂。反应的选择性良好,产率...

2555-13-7N-Allylacrylamide
化合物问答

什么是1,2-二碘四氟代乙烷(CAS号:354-65-4)?

1,2-二碘四氟代乙烷是一种有机化合物,化学式为C2F4I2,CAS号为354-65-4。它是一种无色透明液体,具有特殊的化学性质和物理性质,包括高沸点、低挥发...

354-65-41,1,2,2-Tetrafluoro-...
化合物问答

3-溴-1H-吡咯[3,2-c]吡啶-4-碳腈(CAS号:1000341-71-8)适用哪些法规指南?

根据GHS(全球化学品统一分类和标签制度),3-溴-1H-吡咯[3,2-c]吡啶-4-碳腈被归类为第2类易燃液体。在欧盟,该化合物需要符合REACH法规的要求,...

1000341-71-83-Bromo-1H-pyrrolo[3...
化合物问答

1-氯甲基萘磺酸(CAS号:87491-79-0)安全吗?

1-氯甲基萘磺酸在使用时需要谨慎,因为它具有一定的刺激性和腐蚀性。操作时应佩戴适当的防护装备,如防化服、手套、护目镜等,避免直接接触皮肤和吸入其蒸汽。

87491-79-01-((Chloromethyl)sul...
化合物问答

二氯(二环戊二烯)铂(CAS号:12083-92-0)的主要用途是什么?

该化合物主要用于催化剂领域,特别是在有机合成中的催化氧化反应以及作为某些药物合成的中间体。此外,它还被研究用于纳米材料的制备。

12083-92-0(1S,7R)-Tricyclo[5.2...
化合物问答

3-溴-7-氯噻吩并[3,2-b]吡啶-6-甲腈(CAS号:798574-82-0)安全吗?

3-溴-7-氯噻吩并[3,2-b]吡啶-6-甲腈在处理时需要谨慎,因其含有溴和氯等强卤素,可能具有一定的刺激性和腐蚀性。使用时应佩戴适当的个人防护装备,避免皮肤...

798574-82-03-Bromo-7-chlorothie...
化合物问答

(R)-1-((R)-2-(2’-二环己基膦苯基)三戊铁基]乙基(双-3,5-三氟甲基苯基)膦(CAS号:494227-32-6)的主要用途是什么?

该化合物主要用于有机合成领域,特别是作为催化剂或配体,在有机合成反应中发挥重要作用。此外,它还可能应用于催化加氢反应、偶联反应等。

494227-32-6Walphos SL-W008-1
化合物问答

3-[6-(Diphenylphosphoryl)-2-naphthyl]-1,10-phenanthroline(CAS号:1480371-38-7)安全吗?

3-[6-(Diphenylphosphoryl)-2-naphthyl]-1,10-phenanthroline在正常使用条件下相对安全,但在操作时应穿戴适当...

1480371-38-73-[6-(Diphenylphosph...
化合物问答

在合成中是否有ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYL)ACETATE(CAS号:1166829-70-4)的替代品?

可以考虑使用类似结构的化合物作为替代品,如2-(4-环戊基环己烯基)乙酸酯,这种化合物在结构上相似,可能在某些合成路径中作为替代品。

1166829-70-4Ethyl [4-(4,4,5,5-te...
化合物问答

如何处理含有3-(3-氨基丙基)丙酮缩甘油(CAS号:131606-42-3)的废料?

处理含有3-(3-氨基丙基)丙酮缩甘油的废料时,首先应确保遵守当地的环保法规。对于危险废物,应进行分类收集,然后送至专业的废物处理设施进行焚烧或安全填埋。在处理...

131606-42-33-[(2,2-Dimethyl-1,3...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。