(swepub) pers:(Johansson Börje) pers:(Abrikosov Igor 1965)
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 04389naa a2200613 4500 | |
| 001 | oai:DiVA.org:kth-16744 | |
| 003 | SwePub | |
| 008 | 100805s2007 | |||||||||||000 ||eng| | |
| 009 | oai:DiVA.org:uu-150799 | |
| 009 | oai:DiVA.org:liu-39371 | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-167442 URI |
| 024 | 7 | a https://doi.org/10.1063/1.27472302 DOI |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-1507992 URI |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-393712 URI |
| 040 | a (SwePub)kthd (SwePub)uud (SwePub)liu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a for2 swepub-publicationtype |
| 100 | 1 | a Isaev, E. I.u Uppsala universitet,Fysiska institutionen,Condensed Matter Theory Group,Moscow State Institute of Steel and Alloys Technological University, Moscow4 aut |
| 245 | 1 0 | a Phonon related properties of transition metals, their carbides, and nitrides :b A first-principles study |
| 264 | 1 | b AIP Publishing,c 2007 |
| 338 | a print2 rdacarrier | |
| 500 | a QC 20100525 | |
| 520 | a Lattice dynamics of body-centered cubic (bcc) V-b-VIb group transition metals (TM), and B1-type monocarbides and mononitrides of IIIb-VIb transition metals are studied by means of first-principles density functional perturbation theory, ultra soft pseudopotentials, and generalized gradient approximation to the exchange-correlation functional. Ground state parameters of transition metals and their compounds are correctly reproduced with the generated ultrasoft pseudopotentials. The calculated phonon spectra of the bcc metals are in excellent agreement with results of inelastic neutron scattering experiments. We show that the superconductivity of transition metal carbides (TMC) and transition metal nitrides (TMN) is related to peculiarities of the phonon spectra, and the anomalies of the spectra are connected to the number of valence electrons in crystals. The calculated electron-phonon interaction constants for TM, TMC, and TMN are in excellent agreement with experimentally determined values. Phonon spectra for a number of monocarbides and mononitrides of transition metals within the cubic NaCl- and hexagonal WC-type structures are predicted. Ideal stoichiometric B1 crystals of ScC, YC, and VC are predicted to be dynamically stable and superconducting materials. We also conclude that YN is a semiconductor. | |
| 650 | 7 | a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng |
| 653 | a high-temperature superconductivity | |
| 653 | a strong-coupled superconductors | |
| 653 | a 1st principles calculations | |
| 653 | a band-structure calculations | |
| 653 | a linear-response theory | |
| 653 | a ab-initio calculations | |
| 653 | a nacl-type structure | |
| 653 | a lattice-dynamics | |
| 653 | a electronic-structure | |
| 653 | a elastic-constants | |
| 653 | a Physics | |
| 653 | a Fysik | |
| 653 | a NATURAL SCIENCES | |
| 700 | 1 | a Simak, Sergey,d 1967-u Linköpings universitet,Tekniska högskolan,Teoretisk Fysik4 aut0 (Swepub:liu)sersi78 |
| 700 | 1 | a Abrikosov, Igor,d 1965-u Linköpings universitet,Tekniska högskolan,Teoretisk Fysik,Universitaet, Hamburg4 aut0 (Swepub:liu)igoab43 |
| 700 | 1 | a Ahuja, Rajeevu Uppsala universitet,Fysiska institutionen,Condensed Matter Theory Group4 aut0 (Swepub:uu)rajeeva |
| 700 | 1 | a Vekilov, Yu Khu Moscow State Institute of Steel and Alloys Technological University, Moscow4 aut |
| 700 | 1 | a Katsnelson, M. I.u Radboud University of Nujmegen, The Netherlands4 aut |
| 700 | 1 | a Lichtenstein, A. I.4 aut |
| 700 | 1 | a Johansson, Börjeu Uppsala universitet,KTH,Tillämpad materialfysik,Fysiska institutionen,Condensed Matter Theory Group,KTH, och Uppsala universitet4 aut0 (Swepub:uu)borjejs |
| 710 | 2 | a Uppsala universitetb Fysiska institutionen4 org |
| 773 | 0 | t Journal of Applied Physicsd : AIP Publishingg 101:12q 101:12x 0021-8979x 1089-7550 |
| 856 | 4 | u https://repository.ubn.ru.nl/bitstream/handle/2066/36312/1/36312.pdf |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-16744 |
| 856 | 4 8 | u https://doi.org/10.1063/1.2747230 |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-150799 |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-39371 |
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