Зонная структура и свойства карбидов, нитридов вольфрама и родственных фаз
Диссертация
Работа выполнена в рамках плановой темы НИР ИХТТ УрО РАН: «Развитие первопринципных зонных и кластерных методов компьютерного материаловедения и моделирование новых кристаллических и наноразмерных систем с участием dи f-элементов» (гос. регистрация 01.02.0007 5 203). Работа поддержана РФФИ, гранты «Компьютерное моделирование функциональных свойств новых керамических материалов на основе тройных… Читать ещё >
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- Основное содержание диссертации изложено в следующих работах:
- Статьи в журналах, рекомендованных экспертным советом ВАК по физике:
- Суетин Д.В., Шеин И. Р., Курлов А. С., Гусев А. И., Ивановский A.JI. Электронная структура полиморфных модификаций низшего карбида вольфрама W2C // Физика твердого тела, Т. 50, № 8, С. 1366−1372 (2008).
- Шеин И.Р., Суетин Д. В., Ивановский A.JI. Упругие свойства карбидных, нитридных и боридных керамик со структурой WC // Письма в ЖТФ, Т. 34, № 19, С. 53−59 (2008). Статьи в ведущих реиензируемых научных журналах:
- Suetin D.V., Shein I.R., Ivanovskii A.L. Structural, electronic properties and stability of tungsten mono- and semi- carbides: a first principles investigation // Journal of Phys. and Chem. of Solids, V. 70, N. 1, P. 64−71 (2009).
- Суетин Д.В., Шеин И. Р., Ивановский" A.JI. Электронная структура карбонитридов вольфрама WGi-xNx // Журнал структ. химии, Т. 50, № 1, С. 7−15 (2009).
- Публикаиии в зарегистрированных научных электронных изданиях:
- Suetin D. V., Shein I.R., Ivanovskii A.L. Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations // cond-mat.mtrl-sci/arXiv:0903.5387 (2009).
- Suetin D. V., Shein I.R., Ivanovskii A.L. Structural, electronic and magnetic properties of ether carbides (Fe3W3C, Fe6W6C, C03W3C and CoeWeC) from first-principles calculations // cond-mat.mtrl-sci/arXiv:0903.5390 (2009).