Adsorption of 3d, 4d, and 5d transition metal atoms on β12-Borophene

被引：19

作者：

Alvarez-Quiceno, J. C. ^{[1
]}

Schleder, G. R. ^{[1
]}

Marinho, E., Jr. ^{[1
]}

Fazzio, A. ^{[1
,2
]}

机构：

[1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Santo Andre, SP, Brazil

[2] Brazilian Nanotechnol Natl Lab LNNano CNPEM, POB 6192, BR-13083970 Campinas, SP, Brazil

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2017年 / 29卷 / 30期

基金：

巴西圣保罗研究基金会;

关键词：

borophene; transition metals; adsorption; BORON-NITRIDE; BOROPHENE; GRAPHENE; MOS2; TRANSISTORS;

D O I：

10.1088/1361-648X/aa75f0

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We perform an ab initio study of the electronic structure and magnetic properties of 3d, 4d and 5d transition metals (TM) adsorbed on freestanding and Ag(111)-supported beta(12)-borophene. The stability of TM adsorption is high for all atoms and increases with the period. For the 3d TM adsorption we observed strong exchange effects. The Ag(111)-surface induced small effects on the calculated properties. Studying the magnetic interaction between TMs, VIB atoms showed direct exchange, while VIIB and Fe showed 2p(B)-mediated indirect exchange. In the ultimate case of a one-dimensional TM array, Ru and Os also show direct exchange effects.

引用

页数：6

共 41 条

[11] Quantum size effects in metal nanofilms: Comparison of an electron-gas model and density functional theory calculations [J].

Han, Yong ;

Liu, Da-Jiang .

PHYSICAL REVIEW B, 2009, 80 (15)

[12] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[13] Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments [J].

Jin, Chuanhong ;

Lin, Fang ;

Suenaga, Kazu ;

Iijima, Sumio .

PHYSICAL REVIEW LETTERS, 2009, 102 (19)

[14] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

PHYSICAL REVIEW, 1965, 140 (4A) :1133-&

[15] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[16] Epitaxial growth of a silicene sheet [J].

Lalmi, Boubekeur ;

Oughaddou, Hamid ;

Enriquez, Hanna ;

Kara, Abdelkader ;

Vizzini, Sebastien ;

Ealet, Benidicte ;

Aufray, Bernard .

APPLIED PHYSICS LETTERS, 2010, 97 (22)

[17] Breakdown of High-Performance Monolayer MoS2 Transistors [J].

Lembke, Dominik ;

Kis, Andras .

ACS NANO, 2012, 6 (11) :10070-10075

[18] Preparation and Applications of Mechanically Exfoliated Single-Layer and Multi layer MoS2 and WSe2 Nanosheets [J].

Li, Hai ;

Wu, Jumiati ;

Yin, Zongyou ;

Zhang, Hua .

ACCOUNTS OF CHEMICAL RESEARCH, 2014, 47 (04) :1067-1075

[19] Tuning the electronic and magnetic properties of borophene by 3d transition-metal atom adsorption [J].

Li, J. Y. ;

Lv, H. Y. ;

Lu, W. J. ;

Shao, D. F. ;

Xiao, R. C. ;

Sun, Y. P. .

PHYSICS LETTERS A, 2016, 380 (46) :3928-3931

[20] Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility [J].

Liu, Han ;

Neal, Adam T. ;

Zhu, Zhen ;

Luo, Zhe ;

Xu, Xianfan ;

Tomanek, David ;

Ye, Peide D. .

ACS NANO, 2014, 8 (04) :4033-4041

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