Prediction of high thermoelectric potential in AMN2 layered nitrides: electronic structure, phonons, and anharmonic effects

2015 ◽  
Vol 3 (18) ◽  
pp. 9945-9954 ◽  
Author(s):  
Rabih Al Rahal Al Orabi ◽  
Esther Orisakwe ◽  
Daehyun Wee ◽  
Bruno Fontaine ◽  
Régis Gautier ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Transport ◽  
Transport Coefficients ◽  
Vibrational Properties ◽  
Band Structures ◽  
Anharmonic Effects

Band structures, electronic transport coefficients, harmonic and anharmonic vibrational properties of novel layered nitrides have been studied to evaluate the potential for thermoelectric applications.

Anisotropy Effects on the Thermoelectric Electronic Transport Coefficients

2015 ◽  
Vol 2 (1-2) ◽  
Author(s):  
Nicholas A. Mecholsky ◽  
Bothina Hamad ◽  
Lorenzo Resca ◽  
Ian L. Pegg ◽  
Marco Fornari
Keyword(s):  
Power Generation ◽  
Band Structure ◽  
Effective Mass ◽  
Critical Points ◽  
Electronic Transport ◽  
Transport Coefficients ◽  
Relative Orientation ◽  
Band Structures ◽  
Full Band

AbstractEngineering thermoelectric (TE) materials for applications in power generation and cooling requires an understanding of how anisotropy influences the TE properties. In this paper we use an angular-dependent, multivalley formalism to model the band structure and to explore the effect of anisotropy on the Seebeck and conductivity tensors. Specifically we explore the effect of degeneracy and relative orientation of the effective mass ellipsoids near critical points on the shape of these tensors. Examples of these types of anisotropic effects are explored within the above formalism and with the full band structures of two materials: half-Heusler ZrNiSn and (Sr,Ba)Nb

Magnetic characterization, electronic structure and vibrational properties of (NH4)2 M(SO4)2·6H2O (M=Mn, Ni) crystals

2021 ◽  
pp. 114384
Author(s):  
Tiago S. Pacheco ◽  
Zélia M.C. Ludwig ◽  
Saif Ullah ◽  
João P.A. de Mendonça ◽  
Fernando Sato ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Vibrational Properties ◽  
Magnetic Characterization

Electronic transport coefficients in plasmas using an effective energy-dependent electron-ion collision-frequency

2017 ◽  
Vol 24 (10) ◽  
pp. 102701
Author(s):  
G. Faussurier ◽  
C. Blancard ◽  
P. Combis ◽  
A. Decoster ◽  
L. Videau
Keyword(s):  
Electronic Transport ◽  
Collision Frequency ◽  
Transport Coefficients ◽  
Effective Energy ◽  
Energy Dependent ◽  
Ion Collision

ChemInform Abstract: The Double Molybdate Rb2Ba(MoO4)2: Synthesis, Crystal Structure, Optical, Thermal, Vibrational Properties, and Electronic Structure.

ChemInform ◽  
2015 ◽  
Vol 46 (49) ◽  
pp. no-no
Author(s):  
Molin Zhou ◽  
Xingxing Jiang ◽  
Chao Li ◽  
Zheshuai Lin ◽  
Jiyong Yao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Vibrational Properties ◽  
Double Molybdate

Electronic structure of alkane chains. Complete one-dimensional band structures of the valence states

1994 ◽  
Vol 219 (1-2) ◽  
pp. 127-131 ◽  
Author(s):  
Ch. Zubrägel ◽  
F. Schneider ◽  
M. Neumann ◽  
G. Hähner ◽  
Ch. Wöll ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structures ◽  
One Dimensional ◽  
Valence States

Investigation of Structural, Vibrational Properties and Electronic Structure of Fluorene‐9‐Bisphenol: A DFT Approach

2018 ◽  
Vol 3 (21) ◽  
pp. 5934-5940
Author(s):  
Selin Özkan Kotiloğlu ◽  
Sibel Çelik ◽  
Emine Tanış ◽  
Mustafa Kurban
Keyword(s):  
Electronic Structure ◽  
Bisphenol A ◽  
Vibrational Properties
Sign in / Sign up

Export Citation Format

Share Document