First-principles theories for anharmonic lattice vibrations

2010 ◽  
Vol 133 (3) ◽  
pp. 034109 ◽  
Author(s):  
So Hirata ◽  
Murat Keçeli ◽  
Kiyoshi Yagi
Keyword(s):  
First Principles ◽  
Lattice Vibrations ◽  
Anharmonic Lattice

scholarly journals Anharmonic Lattice Vibrations in Small‐Molecule Organic Semiconductors

2020 ◽  
Vol 32 (10) ◽  
pp. 1908028 ◽  
Author(s):  
Maor Asher ◽  
Daniel Angerer ◽  
Roman Korobko ◽  
Yael Diskin‐Posner ◽  
David A. Egger ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Small Molecule ◽  
Lattice Vibrations ◽  
Anharmonic Lattice

scholarly journals Computer Experiments on Ergodic Problems in Anharmonic Lattice Vibrations

1970 ◽  
Vol 45 ◽  
pp. 209-230 ◽  
Author(s):  
Nobuhiko Saitô ◽  
Naotake Ooyama ◽  
Yôji Aizawa ◽  
Hajime Hirooka
Keyword(s):  
Computer Experiments ◽  
Lattice Vibrations ◽  
Anharmonic Lattice

Electronic structure, optical and dielectric properties of BaTiO3/CaTiO3/SrTiO3 ferroelectric superlattices from first-principles calculations

2015 ◽  
Vol 3 (33) ◽  
pp. 8625-8633 ◽  
Author(s):  
Bingcheng Luo ◽  
Xiaohui Wang ◽  
Enke Tian ◽  
Guowu Li ◽  
Longtu Li
Keyword(s):  
Electronic Structure ◽  
Dielectric Properties ◽  
Thermodynamic Properties ◽  
First Principles ◽  
Lattice Vibrations ◽  
First Principles Calculations ◽  
Optical Dielectric

The electronic structure, lattice vibrations, and optical, dielectric and thermodynamic properties of BaTiO3/CaTiO3/SrTiO3 (BT/CT/ST) ferroelectric superlattices are calculated by using first-principles calculations.

Anharmonic lattice vibrations in simple metals

1983 ◽  
Vol 27 (12) ◽  
pp. 7199-7208 ◽  
Author(s):  
J. Rosén ◽  
G. Grimvall
Keyword(s):  
Lattice Vibrations ◽  
Anharmonic Lattice
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