Electronic and magnetic properties of dopant atoms in SnSe monolayer: a first-principles study

Abstract

SnSe monolayer with 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) atoms doped SnSe monolayer. The calculated electronic structures show that Ga-doped system maintains semiconducting property while In-doped SnSe monolayer is half-metal. The As- and Sb- doped SnSe systems present the characteristics of n-type semiconductor. Moreover, all considered substitutional doping cases induce magnetic ground states with the magnetic moment of 1μB. In addition, the calculated formation energies also show that four types of doped systems are thermodynamic stable. These results provide a new route for the potential applications of doped SnSe monolayer in 2D photoelectronic and magnetic semiconductor devices.

7 pages, 9 figures

References in corpus (5)

• Electric Field Effect in Atomically Thin Carbon Films
• Epitaxial Growth of Two-Dimensional Stanene
• Electronic structure and thermoelectric properties of n- and p-type SnSe from first principles calculations
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Cited by in corpus (2)

• Doping-induced persistent spin helix with large spin splitting in monolayer SnSe
• Carbon Monosulfide Nanostructures: Chains Arrays, Monolayers, and Thin Films