Controlling the magnetic anisotropy of RumIrn (m + n = 3) clusters using the MgO(001) substrate

Literature Information

Publication Date 2022-12-01
DOI 10.1039/D2CP03760B
Impact Factor 3.676
Authors

Qing Diao, Chengwei Yang, Honglei Liu, Hongxia Yan, Guixian Ge, Xiaodong Yang, Jueming Yang


View Original

Abstract

Large perpendicular magnetic anisotropy energy (MAE) and flexible regulation of the magnitude and direction of MAE have great potential for application in information storage devices. Here, utilizing first-principles calculations, we investigated the magnetic properties of free and MgO(001) supported RumIrn clusters (RumIrn@MgO(m + n = 3)). The results indicate that the MAE of mixed clusters increases with the number of Ir atoms due to Ir having a strong coupling between the non-degenerate dxy and dx2−y2 states. The MAE of free Ir3 is −8.18 meV with the easy magnetization direction parallel to the x-axis, while the MAE of supported Ir3 on the MgO substrate increases by a factor of 2.6, and the easy magnetization axis of the structure is shifted to a direction perpendicular to the substrate surface. This change in MAE is due to the significant enhancement in the coupling between the non-degenerate dyz and dx2−y2 states near the Fermi level of Ir3 atoms. Moreover, Ir3@MgO possesses high thermodynamic stability. These results give a new method for manipulating MAE and the direction of easy magnetization, which has great potential for application in magnetic nanodevices.

Related Literature

A zero dimensional model of lithium–sulfur batteries during charge and discharge

Monica Marinescu, Teng Zhang, Gregory J. Offer

2015-11-12 Paper

DOI: 10.1039/C5CP05755H

Variable electronic properties of lateral phosphorene–graphene heterostructures

Xiaoqing Tian, Lin Liu, Yu Du, Juan Gu, Jian-bin Xu, Boris I. Yakobson

2015-11-06 Paper

DOI: 10.1039/C5CP05443E

Thiolated Au18 cluster: preferred Ag sites for doping, structures, and optical and chiroptical properties

Bertha Molina, Alfredo Tlahuice-Flores

2015-12-03 Communication

DOI: 10.1039/C5CP05171A

An auxilliary grid method for the calculation of electrostatic terms in density functional theory on a real-space grid

Michael Zuzovski, Amir Boag, Amir Natan

2015-06-30 Paper

DOI: 10.1039/C5CP01090J

When do defectless alkanethiol SAMs in ionic liquids become penetrable? A molecular dynamics study

Sergey A. Kislenko, Victoria A. Nikitina, Renat R. Nazmutdinov

2015-10-08 Paper

DOI: 10.1039/C5CP04566E

Electrical conductance and structure of copper atomic junctions in the presence of water molecules

Yu Li, Firuz Demir, Satoshi Kaneko, Shintaro Fujii, Tomoaki Nishino, George Kirczenow, Manabu Kiguchi

2015-11-10 Paper

DOI: 10.1039/C5CP05227K

Revival of “dead” memristive devices: case of WO3−x

Zheng-Hua Tan, Rui Yang, Kazuya Terabe, Xue-Bing Yin, Xin Guo

2015-12-07 Communication

DOI: 10.1039/C5CP06484H

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.