Electronic structure and lattice dynamics of rhombohedral BiAlO 3 from first-principles

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2016.04.045 ◽

2016 ◽

Vol 177 ◽

pp. 405-412 ◽

Author(s):

J. Kaczkowski

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics

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Electronic structure and lattice dynamics of CaPd3B studied by first-principles methods

Physics Letters A ◽

10.1016/j.physleta.2006.03.054 ◽

2006 ◽

Vol 356 (3) ◽

pp. 251-254 ◽

Author(s):

Denis Music ◽

Rajeev Ahuja ◽

Jochen M. Schneider

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics

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Lattice dynamics and electronic structure of energetic solids LiN3 and NaN3: A first principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2013.09.012 ◽

2013 ◽

Vol 586 ◽

pp. 44-50 ◽

Author(s):

K. Ramesh Babu ◽

G. Vaitheeswaran

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Study

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Electronic structure and lattice dynamics in kesterite-typeCu2ZnSnSe4from first-principles calculations

Physical Review B ◽

10.1103/physrevb.82.205204 ◽

2010 ◽

Vol 82 (20) ◽

Author(s):

Narjes Beigom Mortazavi Amiri ◽

Andrei Postnikov

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculations

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Electronic Structure, Lattice Dynamics and Thermoelectric Properties of PbTe from First-Principles Calculation

Chinese Physics Letters ◽

10.1088/0256-307x/30/1/017101 ◽

2013 ◽

Vol 30 (1) ◽

pp. 017101 ◽

Author(s):

Peng-Xian Lu ◽

Ling-Bo Qu

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation

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First-principles electronic structure and lattice dynamics of the giant dielectric compound Na0.5Bi0.5Cu3Ti4O12

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/17/175220 ◽

2008 ◽

Vol 20 (17) ◽

pp. 175220 ◽

Author(s):

Cihan Parlak ◽

Resul Eryiğit

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

Giant Dielectric

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Electronic structure, lattice dynamics and thermoelectric properties of silicon nanosphere-nanoribbon layered structure from first-principles calculation

Physica B Condensed Matter ◽

10.1016/j.physb.2017.02.029 ◽

2017 ◽

Vol 512 ◽

pp. 68-74

Author(s):

Peng-Xian Lu ◽

Yi Xia

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

Layered Structure ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation

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Electronic Structure, Lattice Dynamics, and Superconducting Properties of Mercury-Alkaline Earth Metal Compounds: a First-Principles Study

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-019-5124-2 ◽

2019 ◽

Vol 32 (11) ◽

pp. 3425-3430

Author(s):

Harsha Pawar ◽

Mahendra Aynyas ◽

Mani Shugani ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Superconducting Properties ◽

Metal Compounds ◽

First Principles Study

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Neutron vibrational spectroscopy and first-principles calculations of the ternary hydridesLi4Si2H(D)andLi4Ge2H(D): Electronic structure and lattice dynamics

Physical Review B ◽

10.1103/physrevb.76.224301 ◽

2007 ◽

Vol 76 (22) ◽

Author(s):

Hui Wu ◽

Wei Zhou ◽

Terrence J. Udovic ◽

John J. Rush ◽

Taner Yildirim ◽

...

Keyword(s):

Electronic Structure ◽

Vibrational Spectroscopy ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculations

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Electronic structure, lattice dynamics, and thermoelectric properties of bismuth nanowire from first-principles calculation

Journal of Materials Research ◽

10.1557/jmr.2017.88 ◽

2017 ◽

Vol 32 (12) ◽

pp. 2405-2413 ◽

Author(s):

Peng-Xian Lu ◽

Meng Zhang ◽

Wen-Jun Zou ◽

Chun Kong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Calculation ◽

Bismuth Nanowire ◽

Abstract

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First-Principles Study of the Electronic Structure, Optical Properties, and Lattice Dynamics of BC2N

The Journal of Physical Chemistry C ◽

10.1021/jp9104739 ◽

2010 ◽

Vol 114 (6) ◽

pp. 2783-2791 ◽

Author(s):

Yanlu Li ◽

Weiliu Fan ◽

Honggang Sun ◽

Xiufeng Cheng ◽

Pan Li ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

First Principles Study

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