“Rattling Impurities in Si and Ge Clathrates”

Charles Myles; Koushik Biswas; Emmanuel Nenghabi

“Rattling Impurities in Si and Ge Clathrates”

Charles Myles, Koushik Biswas, Emmanuel Nenghabi

Physics

Research output: Contribution to conference › Paper › peer-review

Abstract

After an introduction to semiconductor clathrates, the results of calculations of the vibrational properties of some experimentally relevant Si- and Ge-based Type I and Type II clathrates are presented. The calculations were carried out using a first-principles, planewave, pseudopotential method. Results for the Si-based Type II materials Cs8Ga8Si128 and Rb8Ga8Si128, and for the Ge-based Type I materials Ba8Ga16Ge30 and Ba8Ga16Si5Ge25 will be discussed with an emphasis on the very low frequency rattling modes of the guest impurities.

Original language	English
State	Published - Nov 1 2007

Fingerprint Dive into the research topics of '“Rattling Impurities in Si and Ge Clathrates”'. Together they form a unique fingerprint.

Cite this

@conference{860cd169ac2f418aac5ef289c3204a3f,

title = "“Rattling Impurities in Si and Ge Clathrates”",

abstract = "After an introduction to semiconductor clathrates, the results of calculations of the vibrational properties of some experimentally relevant Si- and Ge-based Type I and Type II clathrates are presented. The calculations were carried out using a first-principles, planewave, pseudopotential method. Results for the Si-based Type II materials Cs8Ga8Si128 and Rb8Ga8Si128, and for the Ge-based Type I materials Ba8Ga16Ge30 and Ba8Ga16Si5Ge25 will be discussed with an emphasis on the very low frequency rattling modes of the guest impurities.",

author = "Charles Myles and Koushik Biswas and Emmanuel Nenghabi",

year = "2007",

month = nov,

day = "1",

language = "English",

}

TY - CONF

T1 - “Rattling Impurities in Si and Ge Clathrates”

AU - Myles, Charles

AU - Biswas, Koushik

AU - Nenghabi, Emmanuel

PY - 2007/11/1

Y1 - 2007/11/1

N2 - After an introduction to semiconductor clathrates, the results of calculations of the vibrational properties of some experimentally relevant Si- and Ge-based Type I and Type II clathrates are presented. The calculations were carried out using a first-principles, planewave, pseudopotential method. Results for the Si-based Type II materials Cs8Ga8Si128 and Rb8Ga8Si128, and for the Ge-based Type I materials Ba8Ga16Ge30 and Ba8Ga16Si5Ge25 will be discussed with an emphasis on the very low frequency rattling modes of the guest impurities.

AB - After an introduction to semiconductor clathrates, the results of calculations of the vibrational properties of some experimentally relevant Si- and Ge-based Type I and Type II clathrates are presented. The calculations were carried out using a first-principles, planewave, pseudopotential method. Results for the Si-based Type II materials Cs8Ga8Si128 and Rb8Ga8Si128, and for the Ge-based Type I materials Ba8Ga16Ge30 and Ba8Ga16Si5Ge25 will be discussed with an emphasis on the very low frequency rattling modes of the guest impurities.

M3 - Paper

ER -