Thermal conductivity of silicon doped by phosphorus: ab initio study

• Autorzy: Andriyevsky B. , Janke W. , Stadnyk V. Y. , Romanyuk M. O.

Identyfikatory

DOI

10.1515/msp-2017-0115

• Języki publikacji: EN

Abstrakty

EN

An original approach to the theoretical calculations of the heat conductivity of crystals based on the first principles molecular dynamics has been proposed. The proposed approach exploits the kinetic theory of phonon heat conductivity and permits calculating several material properties at certain temperature: specific heat, elastic constant, acoustic velocity, mean phonon scattering time and coefficient of thermal conductivity. The method has been applied to silicon and phosphorus doped silicon crystals and the obtained results have been found to be in satisfactory agreement with corresponding experimental data. The proposed computation technique may be applied to the calculations of heat conductivity of pure and doped semiconductors and isolators.

Słowa kluczowe

EN

heat conductivity; molecular dynamics; ab initio calculations; phosphorus doped silicon crystals

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2017
• Tom: Vol. 35, No. 4
• Strony: 717--724
• Opis fizyczny: Bibliogr. 31 poz., rys.

Twórcy

autor

Andriyevsky B.

• Faculty of Electronics and Computer Sciences, Koszalin University of Technology, 2 Sniadeckich Str., PL-75-453, Koszalin, Poland [e-mail]

autor

Janke W.

• Faculty of Electronics and Computer Sciences, Koszalin University of Technology, 2 Sniadeckich Str., PL-75-453, Koszalin, Poland

autor

Stadnyk V. Y.

• The Ivan Franko National University of Lviv, 8 Cyril and Methodius Str., UA-79005 Lviv, Ukraine

autor

Romanyuk M. O.

• The Ivan Franko National University of Lviv, 8 Cyril and Methodius Str., UA-79005 Lviv, Ukraine

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Uwagi

PL

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2018).