Table 1 In-plane and out-of-plane macroscopic dielectric constant of monolayer (1 L) and bulk of 2D layered materials.

From: Identification of two-dimensional layered dielectrics from first principles

 

Bulk ε∞,

Bulk ε∞,

Bulk ε0,

Bulk ε0,

1 L ε∞,

1 L ε∞,

1 L ε0,

1 L ε0,

TlF (1a)

4.1

4.2

8.8

63.9

3.6

3.6

6.9

98.4

CaHBr (1b)

3.8

4.0

7.0

8.8

4.1

3.9

4.6

8.9

CaHI (1b)

4.4

4.6

6.7

9.1

5.8

4.7

9.2

9.6

GeClF (1b)

4.3

6.0

18.4

6.0

4.3

5.9

11.0

5.9

HoOI (1b)

4.3

5.1

6.1

16.7

4.6

5.0

7.1

17.2

LaOBr (1b)

4.6

4.9

12.5

18.4

5.3

4.7

13.2

18.2

LaOCl (1b)

4.2

4.4

11.8

18.4

5.5

4.5

55.8

21.3

LaOI (1b)

4.4

5.1

7.3

16.7

4.9

4.9

7.1

16.1

LuOBr (1b)

3.7

4.4

5.8

20.7

4.0

4.5

5.7

22.4

LuOI (1b)

4.2

5.2

6.1

19.0

4.5

5.1

6.3

19.7

NdOI (1b)

4.3

5.1

6.5

14.6

4.8

5.0

6.6

14.8

PbClF (1b)

4.2

4.8

28.2

56.2

4.6

5.0

15.2

74.6

SrBrF (1b)

3.3

3.5

7.9

6.8

3.8

3.3

8.3

9.0

SrHBr (1b)

4.0

3.9

11.1

8.8

5.2

3.9

8.9

8.7

SrHI (1b)

4.2

4.3

7.9

8.3

4.8

4.2

11.0

8.2

YOBr (1b)

3.8

4.4

6.3

18.1

4.1

4.4

5.8

19.1

AlOCl (1c)

3.0

3.1

4.4

7.8

3.1

3.1

4.6

7.8

BiOCl (1c)

4.9

6.5

11.7

56.0

5.3

6.4

10.4

64.9

InOCl (1c)

3.4

3.8

4.9

8.9

3.6

3.7

4.9

8.9

ScOBr (1c)

3.8

4.2

5.0

11.9

3.9

4.1

5.2

11.8

CaI2 (2)

3.5

3.9

4.2

6.8

3.7

3.8

4.4

6.9

CdBr2 (2)

3.6

4.3

4.5

10.0

3.7

4.3

4.5

10.2

CdCl2 (2)

3.7

3.3

4.0

8.5

3.7

3.8

5.2

9.2

MgBr2 (2)

3.2

3.5

3.9

7.6

3.2

3.5

4.1

10.5

MgCl2 (2)

2.7

3.0

3.5

6.6

2.8

2.9

3.6

6.6

MgI2 (2)

3.9

4.4

4.6

8.8

4.0

4.4

4.9

8.9

PbI2 (2)

4.9

6.8

5.7

25.7

5.0

6.3

6.1

20.8

ZnBr2 (2)

3.7

4.6

4.5

15.3

3.7

4.6

4.6

14.6

ZnCl2 (2)

3.1

3.8

3.9

12.3

3.1

3.8

4.0

12.7

PbF4 (3)

2.9

6.6

4.8

12.8

4.0

2.9

8.6

10.3

SnF4 (3)

2.4

5.5

3.9

10.9

3.0

2.4

5.6

9.0

SrI2 (4)

3.8

3.8

7.3

6.9

5.1

3.9

8.3

7.1

  1. ε and ε0 are the electronic and the static (“electronic” + “ionic”) components of the dielectric constants. Both out-of-plane () and in-plane values () are reported. Materials category 1a-4, illustrated in Fig. 1 and space groups provided in Supplementary Table 1, are indicated in parenthesis in the first column for each material.