Comparative study of electronic structures and dielectric properties of alumina polymorphs by first-principles methods

Physical Review B ◽

10.1103/physrevb.76.245110 ◽

2007 ◽

Vol 76 (24) ◽

Author(s):

Choong-Ki Lee ◽

Eunae Cho ◽

Hyo-Sug Lee ◽

Kwang Soo Seol ◽

Seungwu Han

Keyword(s):

Dielectric Properties ◽

Comparative Study ◽

First Principles ◽

Electronic Structures ◽

Alumina Polymorphs

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The electronic structures, Born effective charge tensors, and phonon properties of cubic, tetragonal, orthorhombic, and rhombohedral K 0.5 Na 0.5 NbO 3 : A first-principles comparative study

Chinese Physics B ◽

10.1088/1674-1056/23/12/127102 ◽

2014 ◽

Vol 23 (12) ◽

pp. 127102 ◽

Author(s):

Shu-Lan Zhou ◽

Xian Zhao ◽

Xiang-Ping Jiang ◽

Xiao-Dong Han

Keyword(s):

Comparative Study ◽

First Principles ◽

Effective Charge ◽

Electronic Structures ◽

Born Effective Charge ◽

Phonon Properties

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Electronic structures and dielectric properties of BaCoxZn2-xFe16O27 from first principles

Acta Physica Sinica ◽

10.7498/aps.61.207102 ◽

2012 ◽

Vol 61 (20) ◽

pp. 207102

Author(s):

Ri Chung-Ho ◽

Li Lin ◽

Qi Yang

Keyword(s):

Dielectric Properties ◽

First Principles ◽

Electronic Structures

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First-principles calculations of graphene-based polyaniline nano-hybrids for insight of electromagnetic properties and electronic structures

RSC Advances ◽

10.1039/c6ra17080c ◽

2016 ◽

Vol 6 (77) ◽

pp. 73915-73923 ◽

Author(s):

Yuping Duan ◽

Jin Liu ◽

Yahong Zhang ◽

Tongmin Wang

Keyword(s):

Dielectric Properties ◽

First Principles ◽

Electronic Structures ◽

Microwave Dielectric Properties ◽

First Principles Calculation ◽

Electromagnetic Properties ◽

First Principles Calculations ◽

Microwave Dielectric

The microwave dielectric properties of graphene-based polyaniline hybrids are studied based on experiments and first-principles calculation.

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First-principles study of the electronic structures and dielectric properties of the Si/SiO2interface

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/36/365202 ◽

2007 ◽

Vol 19 (36) ◽

pp. 365202 ◽

Author(s):

Tomoya Ono ◽

Yoshiyuki Egami ◽

Katsuhiro Kutsuki ◽

Heiji Watanabe ◽

Kikuji Hirose

Keyword(s):

Dielectric Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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Electronic structures, magnetic properties and dielectric properties of Fe3Si@SiO2 core-shell structure from first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.123282 ◽

2020 ◽

Vol 254 ◽

pp. 123282 ◽

Author(s):

Fen Ren ◽

Zhi-Dong Huang ◽

Rui Ma ◽

Quan Xie

Keyword(s):

Magnetic Properties ◽

Dielectric Properties ◽

First Principles ◽

Shell Structure ◽

Electronic Structures ◽

First Principles Study ◽

Core Shell Structure

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Electronic structures and phase instabilities of cubic Na1/2Bi1/2TiO3 and K1/2Bi1/2TiO3： a first-principles comparative study

Acta Physica Sinica ◽

10.7498/aps.63.167101 ◽

2014 ◽

Vol 63 (16) ◽

pp. 167101

Author(s):

Zhou Shu-Lan ◽

Zhao Xian ◽

Jiang Xiang-Ping ◽

Han Xiao-Dong

Keyword(s):

Comparative Study ◽

First Principles ◽

Electronic Structures ◽

Phase Instabilities

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The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

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Electronic structures and ferromagnetism of 3C-SiC doped with (Fe, Co) double-impurities by first-principles calculations

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.105779 ◽

2021 ◽

Vol 129 ◽

pp. 105779

Author(s):

Long Lin ◽

Yujin Chen ◽

Hualong Tao ◽

Linwei Yao ◽

Jingtao Huang ◽

...

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Calculations

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Comparative study of synthesis method on dielectric properties of ceramics of binary composition 0.6PMN–0.4PZN

Ferroelectrics ◽

10.1080/00150193.2020.1853755 ◽

2021 ◽

Vol 571 (1) ◽

pp. 246-255

Author(s):

Mamta Vinod Takarkhede ◽

Sheela Ashok Band

Keyword(s):

Dielectric Properties ◽

Comparative Study ◽

Synthesis Method ◽

Binary Composition

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Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽

10.1039/d0ra09238j ◽

2021 ◽

Vol 11 (5) ◽

pp. 3058-3070

Author(s):

Yu Zhou ◽

Lan-Ting Shi ◽

A-Kun Liang ◽

Zhao-Yi Zeng ◽

Xiang-Rong Chen ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Electronic Structures ◽

Pressure Range ◽

Mechanical Stability ◽

First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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