Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet

被引：53

作者：

Dzade, Nelson Y. ^{[1
]}

Obodo, Kingsley O. ^{[1
]}

Adjokatse, Sampson K. ^{[1
]}

Ashu, Akosa C. ^{[1
]}

Amankwah, Emmanuel ^{[1
]}

Atiso, Clement D. ^{[1
]}

Bello, Abdulhakeem A. ^{[1
]}

Igumbor, Emmanuel ^{[1
]}

Nzabarinda, Stany B. ^{[1
]}

Obodo, Joshua T. ^{[1
]}

Ogbuu, Anthony O. ^{[1
]}

Femi, Olu Emmanuel ^{[1
]}

Udeigwe, Josephine O. ^{[1
]}

Waghmare, Umesh V. ^{[1
,2
]}

机构：

[1] African Univ Sci & Technol, Abuja, Nigeria

[2] J Nehru Ctr Adv Sci Res, Bangalore 560064, Karnataka, India

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2010年 / 22卷 / 37期

关键词：

SCALING GEOMETRY OPTIMIZATION; MOLYBDENUM DISILICIDE; STATE SEARCH; GRAPHENE; GAS;

D O I：

10.1088/0953-8984/22/37/375502

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) in its lattice, forming MSi(2). While pure silicene is stable in a distorted honeycomb lattice structure obtained by opposite out-of-plane displacements of the two Si sub-lattices, its electronic structure still exhibits linear dispersion with the Dirac conical feature similar to graphene. We show that incorporation of transition metal ions in its lattice results in a rich set of properties with a clear dependence on the structural changes, and that CrSi(2) forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.

引用

页数：7

共 17 条

[1]

[Anonymous], 1987, Unconstrained Optimization: Practical Methods of Optimization

[2] Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates [J].