Phase diagrams and dielectric response of epitaxial (BaxSr1−x)TiO3 ultrathin films: A first-principles study

Physica B Condensed Matter ◽

10.1016/j.physb.2012.04.058 ◽

2012 ◽

Vol 407 (17) ◽

pp. 3627-3631 ◽

Author(s):

S. Bin-Omran

Keyword(s):

Phase Diagrams ◽

Ultrathin Films ◽

First Principles ◽

Dielectric Response ◽

First Principles Study

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First-principles Study of Perovskite Ultrathin Films: Stability and Confinement Effects

Israel Journal of Chemistry ◽

10.1002/ijch.201600056 ◽

2016 ◽

Vol 57 (6) ◽

pp. 509-521 ◽

Author(s):

Marco Arrigoni ◽

Eugene A. Kotomin ◽

Joachim Maier

Keyword(s):

Ultrathin Films ◽

First Principles ◽

Confinement Effects ◽

First Principles Study

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First principles study of magnetic anisotropy and magnetoelectric effect of FePd/MgO(001) ultrathin films

Journal of Applied Physics ◽

10.1063/1.4793601 ◽

2013 ◽

Vol 113 (17) ◽

pp. 17C702 ◽

Author(s):

K. H. He ◽

J. S. Chen

Keyword(s):

Magnetic Anisotropy ◽

Ultrathin Films ◽

First Principles ◽

Magnetoelectric Effect ◽

First Principles Study

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First-principles study of the structure and lattice dielectric response ofCaCu3Ti4O12

Physical Review B ◽

10.1103/physrevb.65.214112 ◽

2002 ◽

Vol 65 (21) ◽

Author(s):

Lixin He ◽

J. B. Neaton ◽

Morrel H. Cohen ◽

David Vanderbilt ◽

C. C. Homes

Keyword(s):

First Principles ◽

Dielectric Response ◽

First Principles Study

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Effects of Zr and Ti doping on the dielectric response of : A comparative first-principles study

Solid State Communications ◽

10.1016/j.ssc.2010.08.014 ◽

2010 ◽

Vol 150 (41-42) ◽

pp. 2020-2022 ◽

Author(s):

Gargi Dutta ◽

Srijan Kumar Saha ◽

Umesh V. Waghmare

Keyword(s):

First Principles ◽

Dielectric Response ◽

First Principles Study ◽

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Experimental and first-principles study of the structure and dielectric response of the high-temperature quantum paraelectricLa1∕2Na1∕2TiO3

Physical Review B ◽

10.1103/physrevb.75.174107 ◽

2007 ◽

Vol 75 (17) ◽

Author(s):

Grégory Geneste ◽

Jean-Michel Kiat ◽

Charlotte Malibert ◽

Julienne Chaigneau

Keyword(s):

High Temperature ◽

First Principles ◽

Dielectric Response ◽

First Principles Study

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The dielectric response and electronic properties of GaS monolayer: A first-principles study

10.1063/1.5051272 ◽

2018 ◽

Author(s):

Bhagwati Prasad Bahuguna ◽

L. K. Saini ◽

Rajesh O. Sharma

Keyword(s):

Electronic Properties ◽

First Principles ◽

Dielectric Response ◽

First Principles Study

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Energetic and electronic properties of CsPbBr3 surfaces: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04893c ◽

2021 ◽

Vol 23 (12) ◽

pp. 7145-7152

Author(s):

Yi Yang ◽

Chunju Hou ◽

Tong-Xiang Liang

Keyword(s):

Electronic Properties ◽

Phase Diagrams ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

The stability phase diagrams of CsPbBr3 (100), (110) and (111) surfaces were calculated. The origin of the stability was elucidated by electronic structures.

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A first-principles study of phase transitions in ultrathin films of BaTiO3

Pramana ◽

10.1007/s12043-008-0045-9 ◽

2008 ◽

Vol 70 (2) ◽

pp. 263-270 ◽

Author(s):

J. Paul ◽

T. Nishimatsu ◽

Y. Kawazoe ◽

U. V. Waghmare

Keyword(s):

Phase Transitions ◽

Ultrathin Films ◽

First Principles ◽

First Principles Study

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First-principles study of phonons and intrinsic dielectric response of Ba(Ni1/3Ta2/3)O3

Computational Materials Science ◽

10.1016/j.commatsci.2012.07.005 ◽

2012 ◽

Vol 65 ◽

pp. 81-84 ◽

Author(s):

Jian-Qing Dai ◽

Yu-Min Song ◽

Hu Zhang

Keyword(s):

First Principles ◽

Dielectric Response ◽

First Principles Study

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Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: First-principles study of temperature-composition phase diagrams and structures

Physical Review B ◽

10.1103/physrevb.57.6427 ◽

1998 ◽

Vol 57 (11) ◽

pp. 6427-6443 ◽

Author(s):

V. Ozoliņš ◽

C. Wolverton ◽

Alex Zunger

Keyword(s):

Phase Diagrams ◽

First Principles ◽

First Principles Study

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