Pure phonon anharmonicity and the anomalous thermal expansion of silicon

نویسندگان

  • D. S. Kim
  • B. Fultz
چکیده

D.S. Kim, ∗ O. Hellman, J. Herriman, H.L. Smith, J.Y.Y. Lin, N. Shulumba, J.L. Niedziela, C.W. Li, D.L. Abernathy, and B. Fultz California Institute of Technology, Department of Applied Physics and Materials Science, Pasadena, California 91125, USA Neutron Data Analysis and Visualization Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA California Institute of Technology, Department of Mechanical and Civil Engineering, Pasadena, California 91125, USA Instrument and Source Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA University of California Riverside, Department of Mechanical Engineering, Riverside, California 92521, USA Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA (Dated: October 28, 2016)

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

Relationship Between Phonons and Thermal Expansion in Zn(CN)2 and Ni(CN)2 from Inelastic Neutron Scattering and Ab-Initio Calculations

Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative (αV = -51 × 10 -6 K) while for Ni(CN)2, a tetragonal material, the thermal expansion coefficient is negative in the two dimensionally connected sheets (αa=-7 × 10 -6 K), but th...

متن کامل

A first-principles lattice dynamical study of type-I, type-II, and type-VIII silicon clathrates

The pristine crystalline type-I, type-II, and type-VIII silicon clathrates have been studied using state of the art first-principles calculations based on density functional theory and density functional perturbation theory. We apply quasi-harmonic approximation to study structural stability, the possibility of temperature or pressuredriven phase transitions, along with Grüneisen parameters, co...

متن کامل

A Model for the Thermal Expansion of Ag(111) and other Metal Surfaces

We develop a model to study the thermal expansion of surfaces, wherein phonon frequencies are obtained from ab initio total energy calculations. Anharmonic effects are treated exactly in the direction normal to the surface, and within a quasiharmonic approximation in the plane of the surface. We apply this model to the Ag(111) and Al(111) surfaces, and find that our calculations reproduce the e...

متن کامل

Electron-phonon interactions and high-temperature thermodynamics of vanadium and its alloys

Inelastic neutron scattering was used to measure the phonon densities of states DOSs for pure V and solid solutions of V with 6 to 7at% of Co, Nb, and Pt, at temperatures from 10 K to 1323 K. Ancillary measurements of heat capacity and thermal expansion are reported on V and V-7at%Co and used to help identify the different sources of entropy. Pure V exhibits an anomalous anharmonic stiffening o...

متن کامل

Phonon Anharmonicity of Ionic Compounds and Metals

Vibrational studies of materials at elevated temperatures are relatively rare, and most phonon work also has emphasized harmonic behavior. Non-harmonic effects are often unexplored. These non-harmonic effects can be important for many properties of the material, such as thermal transport and phase stability. Phonon theory and computational methods are briefly reviewed, and the experimental tech...

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 2016