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DFT investigation of electronic structures and magnetic properties of halides family MeHal(3) (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures

Описание

Тип публикации: статья из журнала (материалы конференций, опубликованные в журналах)

Конференция: EURO-Asian Symposium on Trends in Magnetism (EASTMAG); Siberian Fed Univ, Krasnoyarsk, RUSSIA; Siberian Fed Univ, Krasnoyarsk, RUSSIA

Год издания: 2017

Идентификатор DOI: 10.1016/j.jmmm.2016.12.054

Ключевые слова: Transition metal trihalides, Magnetic properties, Thermoelectric conversion, Density functional theory, Atoms, Chains, Electronic structure, Ferromagnetic materials, Ferromagnetism, Magnetic moments, Magnetism, Metal halides, Metals, Molybdenum, Niobium, Ruthenium, Structural properties, Transition metals, DFT-GGA, Ferromagnetic and anti-ferromagnetic, Metal atoms, One-dimensional structure, Transition metal atoms, Trihalides, Weak interactions

Аннотация: Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal(3)) (Zr, Ti and Nb iodides, Mo, Ru, Ti and Zr bromides and Ti or Zr chlorides) are investigated. These structures consist of tran

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Издание

Журнал: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Выпуск журнала: Vol. 440

Номера страниц: 93-96

ISSN журнала: 03048853

Место издания: AMSTERDAM

Издатель: ELSEVIER SCIENCE BV

Персоны

  • Kuzubov A.A. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia; Kirensky Inst Phys, Akademgorodok 50, Krasnoyarsk 660036, Russia)
  • Kovaleva E.A. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia; Kirensky Inst Phys, Akademgorodok 50, Krasnoyarsk 660036, Russia)
  • Popova M.I. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia)
  • Kholtobina A.S. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia)
  • Mikhaleva N.S. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia; Kirensky Inst Phys, Akademgorodok 50, Krasnoyarsk 660036, Russia)
  • Visotin M.A. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia; Kirensky Inst Phys, Akademgorodok 50, Krasnoyarsk 660036, Russia)
  • Fedorov A.S. (Siberian Fed Univ, Av Svobodny 79, Krasnoyarsk 660041, Russia; Kirensky Inst Phys, Akademgorodok 50, Krasnoyarsk 660036, Russia)

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