Novel BN polymorphs transformed from the smallest BNNTs under high pressure

Prediction of novel boron–carbon based clathrates

“…The bulk modulus of MB 2 C 4 is in the range of 230.8–292.2 GPa, which is comparable to 251 GPa of B 4 C. 68 The shear modulus of MB 2 C 4 is in the range of 132.1–234.4 GPa, which is slightly lower than the 241 GPa of α-BN. 69 In the same way, the corresponding bulk modulus and shear modulus of MB 4 C 2 are in the range of 186.2–219.4 GPa and 141.8–201.9 GPa, respectively. Based on the empirical model, 70 the Vickers hardness can be obtained by the formula: H ν = 2.0( k 2 G ) 0.585 –3.0 ( k = G / B ).…”

The role of sp2and sp3hybridized bonds on the structural, mechanical, and electronic properties in a hard BN framework

“…A few new BN structures built using either BN nanosheets, nanotubes, or nanoribbons were reported in the literature. 19,22,34,68,69,77,78 There is reason to believe that the special properties of Hex-(BN) 12 will arouse further experimental efforts in producing this novel family of BN compounds. 12 has unequal bond lengths and bond angles in these hybrid orbitals due to its structural characteristics, which reduce its relative energetic stability.…”

III‐Nitride Polymorphs: XN (X=Al, Ga, In) in the Pnma Phase

“…Recently,m ore and more researchers have begun to study the polymorphs of the XN compounds (X = Al, Ga, In). [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] Yang et al [6] investigated the structural, elastic,thermodynamic, electronic, and opticalp roperties of four novel compounds: Pmn2 1 -AlN, Pbam-AlN, Pbca-AlN, and Cmcm-AlN. They found that the AlN in the Cmcm phase has ab etter plasticity and also has al arger elastic anisotropyi nY oung's modulus than Pmn2 1 -AlN, Pbam-AlN, and Pbca-AlN.…”