Electronic and magnetic properties of SnSe monolayers doped by Ga, In, As, and Sb: a first-principles study

Literature Information

Publication Date 2016-02-16
DOI 10.1039/C5CP07111A
Impact Factor 3.676
Authors

Qingxia Wang, Xiaonan Fu, Chong Qiao, Congxin Xia, Yu Jia


View Original

Abstract

A SnSe monolayer with an orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the electronic and magnetic properties of X (X = Ga, In, As, Sb) atom doped SnSe monolayers. The calculated electronic structures show that the Ga-doped system maintains its semiconducting properties while the In-doped SnSe monolayer is half-metal. The As- and Sb-doped SnSe systems present the characteristics of an n-type semiconductor. Moreover, all considered substitutional doping cases induce magnetic ground states with a magnetic moment of ∼1 μB. In addition, the calculated formation energies also show that four types of doped systems are thermodynamically stable. These results provide a new route for the potential applications of doped SnSe monolayers in 2D photoelectronic and magnetic semiconductor devices.

Related Literature

Introduction to the themed collection on photopolymer science dedicated to Ewa Andrezejewska

Kurt Dietliker, Robert Liska, Marco Sangermano

2022-02-16 Editorial

DOI: 10.1039/D2PY90020C

Stochastic effective core potentials, improving efficiency using a spin-dependent core definition

Jonas Feldt, Antoine Bienvenu, Roland Assaraf

2022-06-22 Paper

DOI: 10.1039/D2CP01357F

GaN/MgI2 van der Waals heterostructure: a two-factor tunable photocatalyst for hydrogen evolution

Hua Zhu, Yang Shen, Qianglong Fang, Xiaodong Yang, Liang Chen, Shiqing Xu

2022-06-13 Paper

DOI: 10.1039/D2CP01456D

Adsorption characteristics of peptides on ω-functionalized self-assembled monolayers: a molecular dynamics study

Hari O. S. Yadav, An-Tsung Kuo, Shingo Urata, Kosuke Funahashi, Yutaka Imamura

2022-05-27 Paper

DOI: 10.1039/D2CP01348G

Photoionization of the aqueous phase: clusters, droplets and liquid jets

Bernd Winter

2022-04-27 Perspective

DOI: 10.1039/D2CP00164K

Low recombination rates and improving charge transfer as decisive conditions for high current densities and fill factors in ZnS complex systems

Cristian Dias Fernandes, Mateus Meneghetti Ferrer, Cristiane Wienke Raubach, Eduardo Ceretta Moreira, Pedro Lovato Gomes Jardim, Ramon Dadalto Carvalho, Elson Longo

2022-05-24 Paper

DOI: 10.1039/D2CP00328G

High temperature molecular motions within a model protomembrane architecture

Josephine LoRicco, Antonio Caliò, Jean-Marc Zanotti, Bruno Demé, Philippe Oger

2022-06-08 Paper

DOI: 10.1039/D2CP01205G

The transferability limits of static benchmarks

Thomas Weymuth, Markus Reiher

2022-05-23 Communication

DOI: 10.1039/D2CP01725C

You might also like

Compound Q&A

What precautions should be taken when handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-57-1)?

When handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-5...

1498311-57-12-Methyl-2-propanyl ...
Compound Q&A

What are the physical and chemical properties of 5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9)?

5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9) is a crystalline solid ...

1000572-93-95-Bromo-1,2-dichloro...
Compound Q&A

How should (2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) be stored?

(2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) should be stored in a c...

354153-64-3(2R)-2-Amino-2-(4-br...
Compound Q&A

What regulatory guidelines apply to Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 362707-24-2)?

Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 3627...

362707-24-2Methyl 4-(aminomethy...
Compound Q&A

What are the main uses of 1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride (CAS: 1174834-52-6)?

1,4-Dimethyl-1H-pyrazole-5-sulfonyl chloride is primarily used as an intermediat...

1174834-52-61,4-dimethyl-1H-pyra...
Compound Q&A

Is Dinaphtho[1,2-b:2',1'-d]furan (CAS: 239-69-0) safe?

Dinaphtho[1,2-b:2',1'-d]furan is generally safe when handled with appropriate pe...

239-69-0Dinaphtho[1,2-b:2',1...
Compound Q&A

What is the market or research trend for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3)?

The market for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3) i...

612-37-37-Methyl-7,9-dihydro...
Compound Q&A

What are the physical and chemical properties of 2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1)?

2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1) is a colorless or light yello...

205676-17-12-(4-Chlorophenyl)ma...
Compound Q&A

How is 2-Methylchrysene (CAS: 3351-32-4) typically synthesized?

2-Methylchrysene (CAS: 3351-32-4) is typically synthesized via the reaction of c...

3351-32-42-Methylchrysene
Compound Q&A

Is N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) safe?

N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) is generally considered saf...

89533-23-3N-(6-aminopyrimidin-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.