P213 BN: a novel large-cell boron nitride polymorph

Qing-Yang Fan(樊庆扬),Nan Wu(吴楠),Shuai-Ming Chen(陈帅铭),Li Jiang(江莉),Wei Zhang(张伟),Xin-Hai Yu(于新海),Si-Ning Yun(云斯宁)

Table 4. Calculated maximum values, minimum values, and ratio of Young's modulus, shear modulus and Poisson's ratio for P213 BN, Pm-3n BN, m-BN carbon and c-BN in the (001), (010), (100) and (111) planes.

(100), (010), (001) planes (111) plane whole ${E}_{\max }$ ${E}_{\min }$ ratio ${E}_{\max }$ ${E}_{\min }$ ratio ${E}_{\max }$ ${E}_{\min }$ ratio P213 BN 107.66 104.67 1.03 107.66 107.66 1.00 108.69 104.67 1.04 Pm-3n BN 681.86 539.60 1.26 539.60 539.60 1.00 681.86 504.72 1.35 c-BN 883.26 720.50 1.23 883.26 883.26 1.00 954.69 720.50 1.33 ${G}_{\max }$ ${G}_{\min }$ ratio ${G}_{\max }$ ${G}_{\min }$ ratio ${G}_{\max }$ ${G}_{\min }$ ratio P213 BN 41.79 40.02 1.04 41.79 40.02 1.04 41.79 40.02 1.04 Pm-3n BN 307.59 208.50 1.48 307.59 208.50 1.48 307.59 208.50 1.48 c-BN 446.77 306.62 1.46 446.77 306.62 1.46 446.77 306.62 1.46 ${v}_{\max }$ ${v}_{\min }$ ${v}_{\max }-{v}_{\max }$ ${v}_{\max }$ ${v}_{\min }$ ${v}_{\max }-{v}_{\max }$ ${v}_{\max }$ ${v}_{\min }$ ${v}_{\max }-{v}_{\max }$ P213 BN 0.32 0.29 0.03 0.32 0.29 0.03 0.32 0.29 0.03 Pm-3n BN 0.29 0.09 0.20 0.29 0.09 0.20 0.29 0.09 0.20 c-BN 0.21 0.00 0.21 0.21 0.00 0.21 0.21 0.00 0.21