Table 1 Summary of the calculated energy gaps.

From: Pressure-controlled luminescence in fast-response barium fluoride crystals

Pressure (GPa)

Crystal phase

Ev−c (eV)

Ec−v (eV)

Ec−c (eV)

ΔEv (eV)

0.1

Cubic

7.044 (indirect)

5.947 (indirect)

14.544 (indirect)

1.56

0.6

Cubic

7.145 (indirect)

5.763 (indirect)

14.533 (indirect)

1.60

1.4

Cubic

7.086 (indirect)

5.872 (indirect)

14.539 (indirect)

1.61

2.0

Cubic

7.123 (indirect)

5.803 (indirect)

14.534 (indirect)

1.65

3.7

Cubic

7.143 (indirect)

5.632 (indirect)

14.451 (indirect)

1.67

3.7

Orthorhombic

7.280 (direct)

5.372 (indirect)

14.761 (indirect)

2.11

4.5

Orthorhombic

7.334 (direct)

4.992 (indirect)

14.597 (indirect)

2.27

5.0

Orthorhombic

7.322 (indirect)

5.124 (indirect)

14.657 (indirect)

2.21

6.4

Orthorhombic

7.336 (indirect)

5.149 (indirect)

14.698 (indirect)

2.21

7.3

Orthorhombic

7.428 (indirect)

4.848 (indirect)

14.668 (indirect)

2.39

8.7

Orthorhombic

7.478 (indirect)

4.613 (indirect)

14.639 (indirect)

2.55

  1. Ev−c, Ec−v, and Ec−c indicate the energy gaps between the valence and conduction bands (valence‒conduction bandgap), the core and valence bands (core‒valence bandgap), and the core and conduction bands (core‒conduction bandgap), respectively. ΔEv is the width of the valence band used to indicate how much the 2p F valence band has broadened.