title: Ð¢ÐµÑÐ¼Ð¾ÑÐ»ÐµÐºÑÑÐ¸ÑÐµÑÐºÐ¸Ðµ ÑÐ²Ð¾Ð¹ÑÑÐ²Ð° CoSi Ð¸ ÑÐ²ÐµÑÐ´ÑÑ ÑÐ°ÑÑÐ²Ð¾ÑÐ¾Ð² Co1-xMxSi (M = Fe, Ni)
title: Ð²ÑÐ¿ÑÑÐºÐ½Ð°Ñ ÐºÐ²Ð°Ð»Ð¸ÑÐ¸ÐºÐ°ÑÐ¸Ð¾Ð½Ð½Ð°Ñ ÑÐ°Ð±Ð¾ÑÐ° Ð¼Ð°Ð³Ð¸ÑÑÑÐ°
titleType: Subtitle
title: Thermoelectric properties of CoSi and solid solutions Co1-xMxSi (M = Fe, Ni)
Creators: name: ÐÐ½ÑÐ¾Ð½Ð¾Ð², ÐÑÑÐµÐ¼
Publisher: name: Ð¡Ð°Ð½ÐºÑ-ÐÐµÑÐµÑÐ±ÑÑÐ³ÑÐºÐ¸Ð¹ Ð¿Ð¾Ð»Ð¸ÑÐµÑÐ½Ð¸ÑÐµÑÐºÐ¸Ð¹ ÑÐ½Ð¸Ð²ÐµÑÑÐ¸ÑÐµÑ ÐÐµÑÑÐ° ÐÐµÐ»Ð¸ÐºÐ¾Ð³Ð¾
Year: 2020
Subjects: Ð¼Ð¾Ð½Ð¾ÑÐ¸Ð»Ð¸ÑÐ¸Ð´ ÐºÐ¾Ð±Ð°Ð»ÑÑÐ°
ÑÐ²ÐµÑÐ´ÑÐµ ÑÐ°ÑÑÐ²Ð¾ÑÑ
ÐºÐ¸Ð½ÐµÑÐ¸ÑÐµÑÐºÐ¸Ðµ ÐºÐ¾ÑÑÑÐ¸ÑÐ¸ÐµÐ½ÑÑ
ÑÑÐ°Ð½ÑÐ¿Ð¾ÑÑÐ½ÑÐµ ÑÐ²Ð¾Ð¹ÑÑÐ²Ð°
ÑÐµÑÐ¼Ð¾ÑÐ´Ñ
ÑÐ»ÐµÐºÑÑÐ¾Ð¿ÑÐ¾Ð²Ð¾Ð´Ð½Ð¾ÑÑÑ
cobalt monosilicide
solid solutions
kinetic coefficient
transport properties
thermopower
electric coefficient

description: ÐÐ°Ð½Ð½Ð°Ñ ÑÐ°Ð±Ð¾ÑÐ° Ð¿Ð¾ÑÐ²ÑÑÐµÐ½Ð° Ð¸Ð·ÑÑÐµÐ½Ð¸Ñ ÑÐµÑÐ¼Ð¾ÑÐ»ÐµÐºÑÑÐ¸ÑÐµÑÐºÐ¸Ñ ÑÐ²Ð¾Ð¹ÑÑÐ² Ð¼Ð¾Ð½Ð¾ÑÐ¸Ð»Ð¸ÑÐ¸Ð´Ð° ÐºÐ¾Ð±Ð°Ð»ÑÑÐ° Ð¸ ÐµÐ³Ð¾ ÑÐ²ÐµÑÐ´ÑÑ ÑÐ°ÑÑÐ²Ð¾ÑÐ¾Ð² Ñ Ð·Ð°Ð¼ÐµÑÐµÐ½Ð¸ÐµÐ¼ ÐºÐ¾Ð±Ð°Ð»ÑÑÐ° Ð½Ð° Ð¶ÐµÐ»ÐµÐ·Ð¾ Ð¸ Ð½Ð¸ÐºÐµÐ»Ñ. Ð ÑÐµÐ·ÑÐ»ÑÑÐ°ÑÐµ Ð½ÐµÐ´Ð°Ð²Ð½Ð¸Ñ ÑÐ°ÑÑÐµÑÐ¾Ð² Ð·Ð¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ CoSi Ð±ÑÐ» ÑÑÑÐ°Ð½Ð¾Ð²Ð»ÐµÐ½ ÑÑÐ´ Ð¾ÑÐ»Ð¸ÑÐ¸Ð¹ Ð¾Ñ ÑÑÐ°Ð½Ð´Ð°ÑÑÐ½Ð¾Ð¹ Ð´Ð»Ñ Ð¿Ð¾Ð»ÑÐ¼ÐµÑÐ°Ð»Ð»Ð¸ÑÐµÑÐºÐ¸Ñ ÑÐ¾ÐµÐ´Ð¸Ð½ÐµÐ½Ð¸Ð¹ Ð¼Ð¾Ð´ÐµÐ»Ð¸ ÐµÑ Ð¾Ð¿Ð¸ÑÐ°Ð½Ð¸Ñ. Ð¢Ð°ÐºÐ¶Ðµ Ð±ÑÐ»Ð¾ ÑÑÑÐ°Ð½Ð¾Ð²Ð»ÐµÐ½Ð¾, ÑÑÐ¾ Ð´Ð°Ð½Ð½ÑÐ¹ Ð¼Ð°ÑÐµÑÐ¸Ð°Ð» Ð¾Ð±Ð»Ð°Ð´Ð°ÐµÑ Ð½ÐµÑÑÐ¸Ð²Ð¸Ð°Ð»ÑÐ½Ð¾Ð¹ ÑÐ¾Ð¿Ð¾Ð»Ð¾Ð³Ð¸ÐµÐ¹ Ð·Ð¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ. Ð¦ÐµÐ»ÑÑ ÑÐ°Ð±Ð¾ÑÑ ÑÐ²Ð»ÑÐµÑÑÑ ÑÐºÑÐ¿ÐµÑÐ¸Ð¼ÐµÐ½ÑÐ°Ð»ÑÐ½Ð¾Ðµ Ð¸ÑÑÐ»ÐµÐ´Ð¾Ð²Ð°Ð½Ð¸Ðµ ÐºÐ¸Ð½ÐµÑÐ¸ÑÐµÑÐºÐ¸Ñ ÐºÐ¾ÑÑÑÐ¸ÑÐ¸ÐµÐ½ÑÐ¾Ð² Ð¸ Ð°Ð½Ð°Ð»Ð¸Ð· ÐºÐ¾ÑÑÐµÐºÑÐ½Ð¾ÑÑÐ¸ Ð¸Ñ Ð¾Ð¿Ð¸ÑÐ°Ð½Ð¸Ñ Ñ Ð¸ÑÐ¿Ð¾Ð»ÑÐ·Ð¾Ð²Ð°Ð½Ð¸ÐµÐ¼ Ð¸Ð¼ÐµÑÑÐ¸ÑÑÑ Ð¸ Ð½Ð¾Ð²ÑÑ ÑÐµÐ¾ÑÐµÑÐ¸ÑÐµÑÐºÐ¸Ñ Ð¼Ð¾Ð´ÐµÐ»ÐµÐ¹ Ð¾Ð¿Ð¸ÑÐ°Ð½Ð¸Ñ ÑÐ»ÐµÐºÑÑÐ¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ Ð¼Ð°ÑÐµÑÐ¸Ð°Ð»Ð°. 
Ð ÑÐµÐ·ÑÐ»ÑÑÐ°ÑÐµ ÑÐ°Ð±Ð¾ÑÑ Ð¿Ð¾Ð»ÑÑÐµÐ½Ñ ÑÐµÐ¼Ð¿ÐµÑÐ°ÑÑÑÐ½ÑÐµ Ð·Ð°Ð²Ð¸ÑÐ¸Ð¼Ð¾ÑÑÐ¸ ÐºÐ¸Ð½ÐµÑÐ¸ÑÐµÑÐºÐ¸Ñ ÐºÐ¾ÑÑÑÐ¸ÑÐ¸ÐµÐ½ÑÐ¾Ð² (ÑÐµÑÐ¼Ð¾ÑÐ´Ñ Ð¸ ÑÐ»ÐµÐºÑÑÐ¾Ð¿ÑÐ¾Ð²Ð¾Ð´Ð½Ð¾ÑÑÐ¸) CoSi Ð¸ ÐµÐ³Ð¾ ÑÐ²ÐµÑÐ´ÑÑ ÑÐ°ÑÑÐ²Ð¾ÑÐ¾Ð² Ñ FeSi Ð¸ NiSi Ð² Ð´Ð¸Ð°Ð¿Ð°Ð·Ð¾Ð½Ðµ 100 â 800 Ð. ÐÑÐ¾Ð²ÐµÐ´ÐµÐ½ ÑÐ°ÑÑÐµÑ Ð·Ð¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ Ð¼Ð°ÑÐµÑÐ¸Ð°Ð»Ð° Ð¸Ð· Ð¿ÐµÑÐ²ÑÑ Ð¿ÑÐ¸Ð½ÑÐ¸Ð¿Ð¾Ð² Ð² Ð¿ÑÐ¾Ð³ÑÐ°Ð¼Ð¼Ð½Ð¾Ð¼ Ð¿Ð°ÐºÐµÑÐµ QuantumEspresso Ð¸ Ð¿ÑÐ¾Ð°Ð½Ð°Ð»Ð¸Ð·Ð¸ÑÐ¾Ð²Ð°Ð½Ð° Ð²Ð¾Ð·Ð¼Ð¾Ð¶Ð½Ð¾ÑÑÑ Ð¸Ð½ÑÐµÑÐ¿ÑÐµÑÐ°ÑÐ¸Ð¸ Ð¿Ð¾Ð»ÑÑÐµÐ½Ð½ÑÑ ÑÐµÐ¼Ð¿ÐµÑÐ°ÑÑÑÐ½ÑÑ Ð¸ ÐºÐ¾Ð½ÑÐµÐ½ÑÑÐ°ÑÐ¸Ð¾Ð½Ð½ÑÑ Ð·Ð°Ð²Ð¸ÑÐ¸Ð¼Ð¾ÑÑÐµÐ¹ Ð½Ð° Ð¾ÑÐ½Ð¾Ð²Ðµ Ð´Ð²ÑÐ·Ð¾Ð½Ð½Ð¾Ð¹ Ð¼Ð¾Ð´ÐµÐ»Ð¸ ÑÐ»ÐµÐºÑÑÐ¾Ð½Ð½Ð¾Ð³Ð¾ ÑÐ¿ÐµÐºÑÑÐ° Ð² Ð¿Ð¾Ð»ÑÐ¼ÐµÑÐ°Ð»Ð»Ð°Ñ Ð¸ Ð·Ð¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ, ÑÐ°ÑÑÑÐ¸ÑÐ°Ð½Ð½Ð¾Ð¹ Ð¸Ð· Ð¿ÐµÑÐ²ÑÑ Ð¿ÑÐ¸Ð½ÑÐ¸Ð¿Ð¾Ð². Ð ÐµÐ·ÑÐ»ÑÑÐ°ÑÑ ÑÐ°Ð±Ð¾ÑÑ Ð¿Ð¾ÐºÐ°Ð·Ð°Ð»Ð¸, ÑÑÐ¾ Ð¾ÑÐ½Ð¾Ð²Ð½ÑÐµ Ð¾ÑÐ¾Ð±ÐµÐ½Ð½Ð¾ÑÑÐ¸ ÑÐµÑÐ¼Ð¾ÑÐ»ÐµÐºÑÑÐ¸ÑÐµÑÐºÐ¸Ñ ÑÐ²Ð¾Ð¹ÑÑÐ² CoSi Ð¸ ÑÐ²ÐµÑÐ´ÑÑ ÑÐ°ÑÑÐ²Ð¾ÑÐ¾Ð² Ð¿ÑÐ¸ Ð¼Ð°Ð»Ð¾Ð¼ ÑÐ¾Ð´ÐµÑÐ¶Ð°Ð½Ð¸Ð¸ Ð¶ÐµÐ»ÐµÐ·Ð° Ð¸ Ð½Ð¸ÐºÐµÐ»Ñ Ð¼Ð¾Ð³ÑÑ Ð±ÑÑÑ Ð°Ð´ÐµÐºÐ²Ð°ÑÐ½Ð¾ Ð¾Ð¿Ð¸ÑÐ°Ð½Ñ Ñ Ð¸ÑÐ¿Ð¾Ð»ÑÐ·Ð¾Ð²Ð°Ð½Ð¸ÐµÐ¼ ÑÐ°ÑÑÑÐ¸ÑÐ°Ð½Ð½Ð¾Ð¹ Ð·Ð¾Ð½Ð½Ð¾Ð¹ ÑÑÑÑÐºÑÑÑÑ Ð¿ÑÐ¸ ÑÑÐµÑÐµ ÑÐ½ÐµÑÐ³ÐµÑÐ¸ÑÐµÑÐºÐ¾Ð¹ Ð·Ð°Ð²Ð¸ÑÐ¸Ð¼Ð¾ÑÑÐ¸ Ð²ÑÐµÐ¼ÐµÐ½Ð¸ ÑÐµÐ»Ð°ÐºÑÐ°ÑÐ¸Ð¸. ÐÐ¿Ð¸ÑÐ°Ð½Ð¸Ðµ ÑÐ¾ÑÑÐ°Ð²Ð¾Ð² Ñ Ð±Ð¾Ð»ÑÑÐ¸Ð¼ ÑÐ¾Ð´ÐµÑÐ¶Ð°Ð½Ð¸ÐµÐ¼ Fe(Ni) Ð¸ Ð¿ÑÐ¸ Ð´Ð²Ð¾Ð¹Ð½Ð¾Ð¼ Ð»ÐµÐ³Ð¸ÑÐ¾Ð²Ð°Ð½Ð¸Ð¸ ÑÑÐµÐ±ÑÐµÑ Ð´Ð°Ð»ÑÐ½ÐµÐ¹ÑÐµÐ³Ð¾ ÑÑÐ¾ÑÐ½ÐµÐ½Ð¸Ñ, ÑÑÐ¾ ÑÐ²ÑÐ·Ð°Ð½Ð¾ Ñ Ð¼Ð¾Ð´Ð¸ÑÐ¸ÐºÐ°ÑÐ¸ÐµÐ¹ ÑÐ»ÐµÐºÑÑÐ¾Ð½Ð½Ð¾Ð³Ð¾ ÑÐ¿ÐµÐºÑÑÐ° Ð² ÑÐ²ÐµÑÐ´ÑÑ ÑÐ°ÑÑÐ²Ð¾ÑÐ°Ñ.
description: The work is devoted to the study of the thermoelectric properties of cobalt monosilicide and its solid solutions with the substitution of cobalt for iron and nickel. As a result of recent CoSi band structure calculations a number of differences from the standard model for semi-metallic compounds were found. Moreover, it was shown that this material has nontrivial topology of band structure. The purpose of the study is to obtain experimental data on kinetic coefficients and analyze the applicability of their description using the available and new theoretical models of electronic structure.
As a result, we obtained the temperature dependencies of kinetic coefficients (thermoelectric power and electrical conductivity) in the range 100â800 K for CoSi and its solid solutions with FeSi and NiSi. The calculation of the material band structure from the first principles was carried out in the Quantum Espresso software package. The possibility of interpreting the obtained temperature and concentration dependencies on the basis of a two-band model of the electron spectrum in semimetals and a band structure calculated from first principles was analyzed. The results of study showed that the main features of the CoSi thermoelectric properties and solid solutions with a low content of iron and nickel can be adequately described using the calculated band structure, taking into account the energy dependence of the relaxation time. The description of compositions with a high content of Fe (Ni) and double doping requires further clarification, which is associated with the modification of the electronic spectrum in solid solutions.