Vibrational properties of tin clathrate materials

نویسندگان

  • Charles W. Myles
  • Jianjun Dong
  • Otto F. Sankey
  • C. A. Kendziora
  • G. S. Nolas
چکیده

Charles W. Myles, Jianjun Dong, Otto F. Sankey, C. A. Kendziora, and G. S. Nolas Department of Physics, Texas Tech University, Lubbock, Texas 79409-1051 Department of Physics, Auburn University, Auburn, Alabama 36849-5311 Department of Physics and Astronomy and Materials Research Center, Arizona State University, Tempe, Arizona 85287 Materials Science and Technology Division, Code 6330, Naval Research Laboratory, Washington, D.C. 20375 Department of Physics, University of South Florida, Tampa, Florida 33620 ~Received 16 October 2001; revised manuscript received 5 April 2002; published 11 June 2002!

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Rattling guest atoms in Si, Ge, and Sn-based type-II clathrate materials

We have studied the vibrational properties of some of the compounds based on the Type II silicon, germanium, and tin-based clathrate materials using LDA electronic structure methods. The lattices in these framework materials have open cages which can contain weakly bound guest impurities, and these guests produce local (“rattling”) vibrational modes. Such modes may scatter the extended, heat ca...

متن کامل

Structural and electronic properties of tin clathrate materials

Using an ab initio local density approximation ~LDA! method, we have studied the structural properties and the electronic band structures of several tin-based clathrate materials. We find that the pure type-I (Sn46) and type-II (Sn136) clathrate frameworks are metastable, expanded-volume phases of Sn and that they are semiconductors. We further find that the Cs encapsulated type-I binary clathr...

متن کامل

Prediction of a large number of electron pockets near the band edges in type-VIII clathrate Si46 and its physical properties from first principles.

The material design of type-VIII clathrate Si46 is presented based on first principles. The structural, electronic, elastic, vibrational, and thermodynamic properties of this hypothetical material are presented. Our results predict that type-VIII clathrate Si46 is an indirect semiconductor with a bandgap of 1.24 eV. The band structure revealed an interestingly large number of electron pockets n...

متن کامل

Structure and Transport Properties of Dense Polycrystalline Clathrate-II (K,Ba)16(Ga,Sn)136 Synthesized by a New Approach Employing SPS

Tin clathrate-II framework-substituted compositions are of current interest as potential thermoelectric materials for medium-temperature applications. A review of the literature reveals different compositions reported with varying physical properties, which depend strongly on the exact composition as well as the processing conditions. We therefore initiated an approach whereby single crystals o...

متن کامل

The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates.

Vibrational frequency shifts of H2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002