Effects of rare earth element Eu on structural, electronic, magnetic, and optical properties of fluoroperovskite compounds SrLiF3: First principles calculations

2019 ◽  
Vol 564 ◽  
pp. 37-44 ◽  
Author(s):  
Nada T. Mahmoud ◽  
Jamil M. Khalifeh ◽  
Ahmad A. Mousa
Keyword(s):  
Optical Properties ◽  
Rare Earth ◽  
Rare Earth Element ◽  
First Principles ◽  
Earth Element ◽  
First Principles Calculations

Comparative Studies of Rare-Earth Element Y-Doped In 2 O 3 by First-Principles Calculations

2014 ◽  
Vol 31 (8) ◽  
pp. 087101 ◽  
Author(s):  
Li-Na Bai ◽  
Li-Feng Feng ◽  
Rui Wang ◽  
Qing Jiang ◽  
Jian-She Lian
Keyword(s):  
Rare Earth ◽  
Rare Earth Element ◽  
First Principles ◽  
Comparative Studies ◽  
Earth Element ◽  
First Principles Calculations

Enhanced C atom adsorption on Cu(111) substrate by doping rare earth element Y for Cu–diamond composites: A first-principles study

2020 ◽  
Vol 831 ◽  
pp. 154747
Author(s):  
Xingzhi Pang ◽  
Jianbing Yang ◽  
Mingjun Pang ◽  
Yanjun Zhao ◽  
Wenchao Yang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Rare Earth Element ◽  
First Principles ◽  
Earth Element ◽  
First Principles Study

scholarly journals Electronic structures and optical properties of rare earth element (Yb) with different valences doped in ZnO

2013 ◽  
Vol 62 (12) ◽  
pp. 127101
Author(s):  
Liu Wei-Jie ◽  
Sun Zheng-Hao ◽  
Huang Yu-Xin ◽  
Leng Jing ◽  
Cui Hai-Ning
Keyword(s):  
Optical Properties ◽  
Rare Earth ◽  
Rare Earth Element ◽  
Electronic Structures ◽  
Earth Element

Electronic Structure and Optical Properties of Rare-Earth Element (La, Y) Doped Ca2Si

2018 ◽  
Vol 55 (9) ◽  
pp. 091601
Author(s):  
Deng Yongrong ◽  
Yan Wanjun ◽  
Qin Xinmao ◽  
Zhang Chunhong ◽  
Zhou Shiyun
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Rare Earth ◽  
Rare Earth Element ◽  
Earth Element

First-principles Study of NiAl Alloyed with Rare Earth Element Ce

2011 ◽  
Vol 27 (8) ◽  
pp. 719-724 ◽  
Author(s):  
You Wang ◽  
Junqi He ◽  
Mufu Yan ◽  
Chonggui Li ◽  
Liang Wang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Rare Earth Element ◽  
First Principles ◽  
Earth Element ◽  
First Principles Study

STRUCTURES AND ELECTRONIC PROPERTIES OF FOUR CRYSTAL GeO2 AND TWO RARE-EARTH ELEMENT OXIDES La2O3 AND CeO2: FIRST PRINCIPLES CALCULATION

2013 ◽  
Vol 12 (05) ◽  
pp. 1350031 ◽  
Author(s):  
CHONG LIU ◽  
XIAO-LI FAN ◽  
SABEEH AHMED
Keyword(s):  
Rare Earth ◽  
Band Gap ◽  
Electronic Properties ◽  
Rare Earth Element ◽  
First Principles ◽  
Earth Element ◽  
First Principles Calculation ◽  
Mos Devices ◽  
Crystalline Forms ◽  
Rare Earth Element Oxides

This paper presents a first principles calculation of the structure and electronic properties of four crystal GeO2 structures and two rare-earth element oxides CeO2 and La2O3 . A GGA was used to optimize structures and calculate band structure and density of states (DOS). It is found that La2O3 has the largest band gap (4.19 eV) among all the six structures, which also means it is the best insulator among them. When it comes to four crystal GeO2 structures, which were calculated to make a comparison with two insulators CeO2 and La2O3 , we found the q- GeO2 and b- GeO2 are more likely to work as the dielectrics used in MOS devices than the other two crystalline forms. Three of the four GeO2 forms have larger band gap than that of CeO2 (2.09 eV), which indicates CeO2 is not a wise choice when deposited directly on the surface of Ge substrate.

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