Table 1 Optimized lattice constant a, V-X bondlength dV−X, interlayer distance between two X layers dX−X and between V and X layers ΔV−X of monolayer VX2 (X = S, Se, and Te).

From: Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te)

(Å)

a

a(Theo.)

d V− X

d X− X

ΔV−X

VS2

3.173

3.17434

2.362

2.982

1.491

VSe2

3.325

3.33134

2.501

3.205

1.602

VTe2

3.587

–

2.715

3.510

1.755

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