. 2021 Feb 19;12(8):2057–2063. doi: 10.1021/acs.jpclett.0c03579

Table 1. LDA and G₀W₀ Lowest Indirect and Direct QP Band Gap and Hole Effective Masses of Cubic Cs₂AgBiBr₆ at X (in Units of the Electron Rest Mass m₀)^a.

	QP band gap (eV)		hole effective mass (m₀)
	X → L	X → X	m_h₁	m_h₂	m_h₃	m_h^*
DFT-LDA	0.90	1.67	0.79	0.73	0.17	0.36
G₀W₀@LDA	1.66	2.41	0.72	0.67	0.15	0.31

The indices correspond to principal axes of the effective mass tensor. m_h₃ corresponds to the hole effective mass along the direction from X to Γ. m_h^* is computed as the harmonic mean of the masses along the three principal components.

Table 1. LDA and G0W0 Lowest Indirect and Direct QP Band Gap and Hole Effective Masses of Cubic Cs2AgBiBr6 at X (in Units of the Electron Rest Mass m0)a.

Table 1. LDA and G₀W₀ Lowest Indirect and Direct QP Band Gap and Hole Effective Masses of Cubic Cs₂AgBiBr₆ at X (in Units of the Electron Rest Mass m₀)^a.