Table 3 EFG parameters in the rare- earth and chromium sites for the orthorhombic RCrO3. Data on (Gd, Nd, La)CrO3 using the 181Hf parent probe was taken from refs. 50,51.

From: Local inhomogeneous state in multiferroic SmCrO3

Sample

R-site

Cr-site

 

Vzz (V/Å2)

η ( ± 0.05)

Vzz (V/Å2)

η ( ± 0.05)

Probe Cd/Taa

Symbol

 

Refs.

YbCrO3

64.0(3)

0.22

48.0(3)

0.76

ab-initiob

✳

★

—

84(2)

0.06

  

111In

●

 

—

88(3)

0.00

  

111mCd

■

 

—

ErCrO3

81.0(3)

0.22

26.0(3)

0.84

ab-initio

✳

★

—

80(2)

0.10

  

111In

●

 

—

87(3)

0.00

  

111mCd

■

 

—

HoCrO3

70.0(3)

0.15

17.0(3)

0.83

ab-initiob

✳

★

—

YCrO3

71.0(3)

0.29

30.0(3)

0.92

ab-initiob

✳

★

—

81(2)

0.11

  

111In

●

 

—

80(3)

0.20

  

111mCd

■

 

—

GdCrO3

70.0(3)

0.10

24.0(3)

0.96

ab-initiob

✳

★

—

  

24(4)

0.62

181Hf

 

◆

50,51

SmCrO3

52.0(3)

0.03

26.0(3)

0.77

ab-initiob

✳

★

—

76(2)

0.23

  

111In

●

 

—

75(3)

0.31

  

111mCd

■

 

—

NdCrO3

60.0(3)

0.40

17.0(3)

0.87

ab-initiob

✳

★

—

  

15(4)

0.73

181Hf

 

◆

50,51

LaCrO3

53.0(3)

0.40

8.0(3)

0.98

ab-initiob

✳

★

—

75(2)

0.47

16(4)

1.0

111In

●

○

53

  

13(4)

0.73

181Hf

 

◆

50,51

  1. a111In and 111mCd isotopes decay to the same PAC probe nuclear state (Cd), while 181Hf decays to 181Ta. All PAC measurements are performed in the final, daughter state.
  2. bab-initio values are scaled by the respective Sternheimer anti-shielding ratio factors as explained in the text. A relative uncertainty of ~0.5% is attributed at the DFT estimated values due to the convergence criteria used in the calculation. The value is taken by overestimation.
Back to article page