Elastic constants ofβ-eucryptite studied by density functional theory

نویسندگان
چکیده

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

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Elastic constants of -eucryptite studied by density functional theory

Badri Narayanan,1 Ivar E. Reimanis,1 Edwin R. Fuller, Jr.,2 and Cristian V. Ciobanu3,* 1Department of Metallurgy & Materials Engineering, Colorado School of Mines, Golden, Colorado 80401, USA 2Ceramics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA 3Division of Engineering, Colorado School of Mines, Golden, Colorado 80401, USA Received 2 January 2010...

متن کامل

Elastic constants and their variation by pressure in the cubic PbTiO3 compound using IRelast computational package within the density functional theory

p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; text-align: justify; font: 12.0px 'Times New Roman'} span.s1 {font: 12.0px 'B Nazanin'} p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; text-align: justify; font: 12.0px 'Times New Roman'} span.s1 {font: 12.0px 'B Nazanin'} In this paper, we study the structural and electronic properties of the cubic PbTiO3 compound by using the density functional the...

متن کامل

Phase diagram of NaxCoO2 studied by Gutzwiller density-functional theory.

The ground state of NaxCoO2 (0.00.6 due to a_{1g} van Hove singularity near the band to...

متن کامل

Investigation of Nickle nanoclusters properties by density functional theory

Clusters play important role for understanding and transferring microscopic to macroscopic properties.Geometric and electron properties of Small nickel clusters up to the tetramer has been investigated by Density Functional Theory (DFT). Raising the number of nickel clusters atoms were indicated decreasing the average equilibrium (Ni-Ni) distance of atoms and also the binding energy of per atom...

متن کامل

Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study

Article history: Received 17 March 2016 Accepted 2 May 2016 Available online 24 May 2016 Certain alumino-silicates display exotic properties enabled by their framework structuremade of corner-sharing tetrahedral rigid units. Using in situ diamond-anvil cell x-ray diffraction (XRD), we study the pressure-induced transformation of β eucryptite, a prototypical alumino-silicate that undergoes a pha...

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

ژورنال

عنوان ژورنال: Physical Review B

سال: 2010

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.81.104106