Superconductivity in LaTMBN and La3TM2B2N3 (TM = Transition Metal) Synthesized under High Pressure
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https://figshare.com/articles/dataset/Superconductivity_in_La_i_T_i_sub_i_M_i_sub_BN_and_La_sub_3_sub_i_T_i_sub_i_M_i_2_sub_B_sub_2_sub_N_sub_3_sub_i_T_i_sub_i_M_i_sub_Transition_Metal_Synthesized_under_High_Pressure/2551762
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Various layered boronitrides (LaN)n(TM2B2) (TM = transition metal; n = 2, 3) have been prepared using a high-pressure synthesis technique in which an inverse α-PbO-type TM2B2 layer is separated by two or three rock salt-type LaN layers and these layers are connected through linear (BN) units. The electronic states of the distinguishing (BN) unit and intermediate rock salt-type LaN layer are discussed on the basis of density functional theory calculations. Bulk superconductivity has been found in LaNiBN (Tc ≈ 4.1 K), CaNiBN (Tc ≈ 2.2 K), and LaPtBN (Tc ≈ 6.7 K), where the Fermi level EF is located in the bands composed of the TM(d)–B(2p) antibonding state and the main TM(d) band resides well below EF. The non-superconductive TM-based compounds exhibit Pauli paramagnetic behavior, in which the highly itinerant nature of the electrons caused by strong TM(d)–B(2p) covalent bonding suppresses the long-range magnetic ordering.
创建时间：
2016-02-22
