ABSTRACT The two-dimensional (2D) magnet, a long-standing missing member in the
family of 2D functional materials, is promising for nextgeneration information technology …

Silicene, a silicon analogue of graphene, has attracted increasing attention during the past
few years. As early as in 1994, the possibility of stage corrugation in the Si analogs of …

Searching experimental feasible two-dimensional (2D) ferromagnetic crystals with large spin-
polarization ratio, high Curie temperature and large magnetic anisotropic energy is one key …

In this study, the first-principles (DFT) is used to explore the structural properties, elastic
anisotropies, and thermal properties of hexagonal TMSi 2 (TM= Cr, Mo, W) silicides. The …

To broaden the scope of application of transition metal disilicides and to explore more
deeply the potential as novel materials, the first-principles calculations based on density …

The effects of V and Si vacancies on structural stability, elastic properties, brittleness-
toughness transition, Debye temperature and electronic properties of tetragonal C11b-VSi2 …

We present an ab initio study of structural, elastic and vibrational properties of transition-
metal disilicides NbSi 2 and TaSi 2. The calculations have been carried out within the …

The physics of two-dimensional (2D) materials is always intriguing in their own right. For all
of these elemental 2D materials, a generic characteristic feature is that all the atoms of the …

We investigated the electronic and magnetic properties of bulk and monolayer CrSi2 using
first-principle methods based on spin-polarized density functional theory. The phonon …

We investigate magnetism and optical properties of intrinsic and Mn-doped monolayer CrSi
2 using the first-principle methods based on density functional theory. The results show that …