MgSnN2

Contents

• Crystal Structure

• Electronic Band Structure

• Elastic Properties

Crystal Structures

Spacegroup: Pna2₁ (NOTE: For the crystal modeling purposes, select the spacegroup as Pbn2₁ )

Point group: C_2v

Lattice Constants:

Wyckoff positions:

*No experimental data available

Electronic Band Structure

Band Gap:

Effective masses:

m_cx=0.26, m_cy=0.26, m_cz=0.24 [ CBM at Γ ] [1]

Valence band maximum splittings and effective masses:

Figures:

Figure 1: QSGW electronic band structure of MgSnN₂

Figure2: Energy band structure of MgSnN₂ near the valence band maximum

Figure 3: Density of states and partial density of states

Elastic Properties

Reference

[1]. Atchara P. Jaroenjittichai, Walter R.L. Lambrecht, Phys. Rev B 94, 125201 (2016).

[2] Sai Lyu and Walter R. L. Lambrecht, Solid State Commun. 299, 113664 (2019).