Table 1 Calculated properties of candidate defect emitters in hBN and their likelihood based on Bayesian inference analysis.

From: Radiative properties of quantum emitters in boron nitride from excited state calculations and Bayesian analysis

Type

Defect

Prior p(h)

Polarized or not

Energy (DFT, eV)

p1(h∣E) using DFT

Energy (GW-BSE, eV)

rad. lifetime (GW-BSE, ns)

p2(h∣E) using GW-BSE

Native defect

VB

1

Y

0.66

0.19

   
 

NB

1

N

2.32

<0.01

   
 

VN

1

N

2.05

<0.01

2.93

3.6

<0.01

 

BN

1

N

2.20

<0.01

3.09

15

<0.01

 

VNVB

0.26

Y

2.84

0.18

   
 

BNVB

0.26

Y

0.85

0.12

   
 

VNNB

0.26

Y

2.04

1

1.92

334

1

 

BNNB

0.26

Y

2.82

0.2

   

Carbon impurity

CB

0.26

N

1.35

<0.01

   
 

CN

0.26

N

1.25

<0.01

1.96

21.7

<0.01

 

CNVB

0.07

Y

1.15

0.09

1.02

1.7 × 105

<0.01

 

CNNB

0.07

Y

2.22

0.22

   
 

VNCB

0.07

Y

1.93

0.27

2.61

121

0.01

 

BNCB

0.07

Y

1.10

0.09

   
 

CNCB

0.02

Y

3.52

<0.01

   

Oxygen impurity

OB

0.26

Y

1.51

0.79

1.52

605

0.38

 

ON

0.26

N

0

<0.01

   
 

ONVB

0.07

Y

0.72

0.02

0.31

1.7 × 105

<0.01

 

ONNB

0.07

Y

1.57

0.22

   
 

VNOB

0.07

Y

3.02

0.02

3.46

44

<0.01

 

BNOB

0.07

Y

1.21

0.11

   
 

ONOB

0.02

Y

3.41

<0.01

   

Experiments

 

Y

1.6−2.2

2−10

 
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