Platinum nitride with fluorite structure

Yu, R.; Zhang, X. F.
March 2005
Applied Physics Letters;3/21/2005, Vol. 86 Issue 12, p121913
Academic Journal
The mechanical stability of platinum nitride has been studied using first-principles calculations. By calculating the single-crystal elastic constants, we show that platinum nitride can be stabilized in the fluorite structure, in which the nitrogen atoms occupy all the tetrahedral interstitial sites of the metal lattice. The stability is attributed to the pseudogap effect from analysis of the electronic structure.


Related Articles

  • Erratum: "Electronic structure of polyglycine as a function of proton position" [J. Chem. Phys. 112, 416 (2000)]. Howard, I. A.; Howard, I.A.; Springborg, M. // Journal of Chemical Physics;6/22/2000, Vol. 112 Issue 24 

    Presents a correction to the article, entitled `Electronic structure of polyglycine as a function of proton position' published in the volume 112 issue of the `Journal of Chemical Physics'.

  • Erratum: "Infinite basis limits in electronic structure theory" [J. Chem. Phys. 111, 2921 (1999)]. Fast, Patton L.; Sánchez, María L.; Truhlar, Donald G. // Journal of Chemical Physics;9/1/2000, Vol. 113 Issue 9 

    Presents corrections to the article, entitled `Infinite basis limits in electronic structure theory' published in the volume 111 issue of the `Journal of Chemical Physics'.

  • Changes in the electronic structures and optical band gap of Ge2Sb2Te5 and N-doped Ge2Sb2Te5 during phase transition. Kim, YoungKuk; Jeong, K.; Cho, M.-H.; Hwang, Uk; Jeong, H. S.; Kim, Kinam // Applied Physics Letters;4/23/2007, Vol. 90 Issue 17, p171920 

    Changes in the electronic structures of Ge2Sb2Te5 (GST) and N-doped Ge2Sb2Te5 film during the phase transition from an amorphous to a crystalline phase were studied using synchrotron radiation high-resolution x-ray photoemission spectroscopy. The changes in tetrahedral and octahedral coordinated...

  • Optical emission of biaxial ZnO–ZnS nanoribbon heterostructures. Murphy, M. W.; Zhou, X. T.; Ko, J. Y. P.; Zhou, J. G.; Heigl, F.; Sham, T. K. // Journal of Chemical Physics;2/28/2009, Vol. 130 Issue 8, pN.PAG 

    The electronic structure and optical properties of biaxial ZnO–ZnS heterostructure nanoribbons (NRs) have been investigated using x-ray absorption near-edge structures (XANES) and x-ray excited optical luminescence (XEOL). The XANES were recorded in total electron yield and...

  • Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method. Pomogaeva, Anna; Feng Long Gu; Imamura, Akira; Aoki, Yuriko // Theoretical Chemistry Accounts: Theory, Computation, & Modeling;Mar2010, Vol. 125 Issue 3-6, p453 

    The investigations of one-dimensional periodic associations of benzo-2,1,3-chalcogendiazoles have been carried out by the elongation method. S, Se and Te chalcogens have been in use. For the polymers, band structures and local densities of states were extracted from ab initio calculations of...

  • Theoretical investigations of 3d-metal adsorption on the α-ALO (0001) surface. Melnikov, V.; Yeremeev, S.; Kulkova, S. // Russian Physics Journal;Nov2011, Vol. 54 Issue 6, p704 

    Theoretical investigations of adsorption of 3d-metals from Ti to Cu on the α-AlO (0001) surface are presented. The influence of adsorbates on the atomic and electronic structure of the aluminum oxide surface is considered. Values of the adsorption energy are calculated, and the equilibrium...

  • Efficient organometallic spin filter based on Europium-cyclooctatetraene wire. Ke Xu; Jing Huang; Shulai Lei; Haibin Su; Boey, Freddy Y. C.; Qunxiang Li; Jinlong Yang // Journal of Chemical Physics;9/14/2009, Vol. 131 Issue 10, p104704 

    Electronic structures, magnetic, and transport properties of organometallic sandwich molecular wire (SMW) constructed with altering europium (Eu) atoms and cyclooctatetraene (COT) rings have been studied by spin-polarized first-principles calculations and nonequilibrium Green’s function...

  • Stability, electronic, and magnetic behaviors of Cu adsorbed graphene: A first-principles study. Wu, M.; Liu, En-Zuo; Ge, M. Y.; Jiang, J. Z. // Applied Physics Letters;3/9/2009, Vol. 94 Issue 10, pN.PAG 

    Stable configurations, electronic structures, and magnetic behaviors for Cu single atom and dimer adsorption on graphene have been investigated by first-principles calculations, using both gradient generalized approximation (GGA) and GGA+U methods. It is found that Cu single atom, sitting above...

  • A first principles study on the full-Heusler compound Cr2MnAl. Jia Li; Yangxian Li; Guoxiang Zhou; Yubao Sun; Sun, Chang Q. // Applied Physics Letters;6/15/2009, Vol. 94 Issue 24, p242502 

    The Hg2CuTi-type structure is found to be preferable energy wise than the Cu2MnAl-type structure for full-Heusler Cr2MnAl and exhibits half-metallic ferromagnetism based on first principles. The calculations for the mixed compounds with disorder between B and D sublattices reveal that the case...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics