First Principles Study of Elastic Properties, Mechanical Properties and Electronic Band Structures of LiGaO2 Phases

2021 ◽  
Vol 223 (1) ◽  
pp. 68-80
Author(s):  
Thanit Saisopa ◽  
Chakrit Nualchimplee ◽  
Yuttakarn Rattanachai ◽  
Kompichit Seehamart ◽  
Isara Kotutha ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Elastic Properties ◽  
First Principles ◽  
Band Structures ◽  
Electronic Band ◽  
First Principles Study ◽  
Electronic Band Structures

A First Principles Study on Electronic Band Structures of Nano－Scaled SOl Films

2005 ◽  
Author(s):  
Yoshiyuki Teratani ◽  
Tomohiro Ando ◽  
Hideaki Tsuchiya ◽  
Tanroku Miyoshi
Keyword(s):  
First Principles ◽  
Band Structures ◽  
Electronic Band ◽  
First Principles Study ◽  
Electronic Band Structures

The tunable electronic structure and mechanical properties of halogenated silicene: a first-principles study

2015 ◽  
Vol 3 (13) ◽  
pp. 3087-3094 ◽  
Author(s):  
Wei-Bing Zhang ◽  
Zhi-Bo Song ◽  
Liu-Ming Dou
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Effective Mass ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study ◽  
Carrier Effective Mass ◽  
Enhanced Stability

Halogenated silicene, with enhanced stability compared with silicene, presents a moderate and tunable direct gap with small carrier effective mass and improved elastic properties.

Electronic band structures of Ge1−xSnx semiconductors: A first-principles density functional theory study

2013 ◽  
Vol 113 (6) ◽  
pp. 063517 ◽  
Author(s):  
Ming-Hsien Lee ◽  
Po-Liang Liu ◽  
Yung-An Hong ◽  
Yen-Ting Chou ◽  
Jia-Yang Hong ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Band Structures ◽  
Electronic Band ◽  
Functional Theory ◽  
Electronic Band Structures

Structures and Electronic Properties of Graphene with Vacancy Defects

2014 ◽  
Vol 1658 ◽  
Author(s):  
J. Sugimoto ◽  
K. Shintani
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculation ◽  
Band Structures ◽  
Electronic Band ◽  
Vacancy Defects ◽  
Electronic Band Structures ◽  
Formation Energies

ABSTRACTThe structures and electronic properties of graphene with defects consisting of one to six atomic vacancies are investigated using first-principles calculation. All of the geometrically possible initial structures of a movacancy or a multivacancy in graphene are equilibrated. The formation energies and electronic band structures for the equilibrated defective structures are calculated. It is suggested non-zero bandgaps may be induced in graphene by introducing some types of monovacancy or multivacancy although further checks regarding supercell size are necessary to ensure the present results.

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