The role of strong electron correlations in determination of band structure and charge distribution of transition metal dihalide monolayers

Описание

Тип публикации: статья из журнала

Год издания: 2019

Идентификатор DOI: 10.1016/j.jpcs.2019.05.036

Ключевые слова: Band structure, DFT, Hubbard correction, Monolayers, Transition metal dihalides

Аннотация: Electronic structure and magnetic properties of the family of first-row transition metal dihalides (TMHal2, TM = V, Cr, Mn, Fe, Co, Ni; H = Br, I) monolayers were studied by means of density functional theory. Strong electron correlations were taken into

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Издание

Журнал: Journal of Physics and Chemistry of Solids

Выпуск журнала: Vol. 134

Номера страниц: 324-332

ISSN журнала: 00223697

Издатель: Elsevier Ltd

Персоны

  • Kovaleva E.A. (Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation, Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea)
  • Melchakova I. (Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation, Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea)
  • Mikhaleva N.S. (Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation)
  • Tomilin F.N. (Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation; Kirensky Institute of Physics, FRC KSC SB RAS, 50 Academgorodok, Krasnoyarsk660036, Russian Federation)
  • Ovchinnikov S.G. (Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation; Kirensky Institute of Physics, FRC KSC SB RAS, 50 Academgorodok, Krasnoyarsk660036, Russian Federation)
  • Baek W. (Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea)
  • Pomogaev V.A. (Tomsk State University, 36 Lenin Prospekt, Tomsk, 634050, Russian Federation)
  • Avramov P. (Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea)
  • Kuzubov A.A.