Other articles related with "first principles simulation":
27102 Yaowen Long(龙耀文), Hong Zhang(张红), and Xinlu Cheng(程新路)
  X9 (B,B'=Sb, Bi; X=Cl, Br, I)[J]. Chinese Physics B, 2022,31(2): 27102-027102")'/> Stability, electronic structure, and optical properties of lead-free perovskite monolayer Cs3B2X9 (B=Sb, Bi; X=Cl, Br, I) and bilayer vertical heterostructure Cs3B2X9/Cs3B2'X9 (B,B'=Sb, Bi; X=Cl, Br, I)
    Chin. Phys. B   2022 Vol.31 (2): 27102-027102 [Abstract] (358) [HTML 1 KB] [PDF 1711 KB] (93)
47402 Lei Liu(刘雷), Li Yi(易丽), Hong Liu(刘红), Ying Li(李营), Chun-Qiang Zhuang(庄春强), Long-Xing Yang(杨龙星), Gui-Ping Liu(刘桂平)
  The structure and elasticity of phase B silicates under high pressure by first principles simulation
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