A first principle calculation of anisotropic elastic, mechanical and electronic properties of TiB

Mapping Intimacies ◽

10.1063/1.5030319 ◽

2018 ◽

Author(s):

Junqin Zhang ◽

Bin Zhao ◽

Huihui Ma ◽

Qun Wei ◽

Yintang Yang

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Anisotropic Elastic

Download Full-text

Crystal Field and First Principle Calculation of Optical and Electronic Properties of ZnCr[sub 2]O[sub 4] Spinel

10.1063/1.3647068 ◽

2011 ◽

Author(s):

N. M. Avram ◽

M. G. Brik ◽

C. N. Avram ◽

A. S. Gruia ◽

Madalin Bunoiu ◽

...

Keyword(s):

Electronic Properties ◽

Crystal Field ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Optical And Electronic Properties

Download Full-text

A first principle calculation on electronic properties of plutonium mononitride: Insights from dynamical mean field theory

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2018.09.023 ◽

2018 ◽

Vol 511 ◽

pp. 277-283 ◽

Cited By ~ 4

Author(s):

Ru-song Li ◽

Ning-hua Tong ◽

Jin-tao Wang ◽

Du-qiang Xin ◽

Shi-qi Huang

Keyword(s):

Field Theory ◽

Electronic Properties ◽

Mean Field Theory ◽

Mean Field ◽

Dynamical Mean Field Theory ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

Download Full-text

A first-principle calculation of structural, mechanical and electronic properties of titanium borides

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(11)60906-0 ◽

2011 ◽

Vol 21 (7) ◽

pp. 1627-1633 ◽

Cited By ~ 27

Author(s):

Hai-yan YAN ◽

Qun WEI ◽

Shao-mei CHANG ◽

Ping GUO

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Titanium Borides

Download Full-text

First principle calculation of bulk electronic properties of cubic SrMO[sub 3] perovskites (M = Ti, Zr)

10.1063/1.4791506 ◽

2013 ◽

Author(s):

Avinash Daga ◽

Smita Sharma ◽

K. S. Sharma

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

Download Full-text

Effects of carbon related defects on opto-electronic properties of β-Ga2O3: The first principle calculation

Results in Physics ◽

10.1016/j.rinp.2020.103060 ◽

2020 ◽

Vol 17 ◽

pp. 103060

Author(s):

Yidan Wei ◽

Tianqi Wang ◽

Yanqing Zhang ◽

Chunhua Qi ◽

Jian Luan ◽

...

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

Download Full-text

Study the electronic properties and magnetization of rutile polymorph CoxTi1-xO2 super cell at various cobalt (Co) concentrations using first principle calculation

Computational Condensed Matter ◽

10.1016/j.cocom.2018.e00347 ◽

2019 ◽

Vol 18 ◽

pp. e00347

Author(s):

Md. Sarwar Pervez ◽

M.A.I. Nahid ◽

Md. Faruk Hossain

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Super Cell ◽

Co Concentrations

Download Full-text

Optical and electronic properties of orthorhombic and trigonal AXO3 (A=Cd, Zn; X=Sn, Ge): First principle calculation

Ferroelectrics ◽

10.1080/00150193.2016.1168207 ◽

2016 ◽

Vol 498 (1) ◽

pp. 73-79 ◽

Cited By ~ 2

Author(s):

Haci Ozisik ◽

Sevket Simsek ◽

Engin Deligoz ◽

Amirullah M. Mamedov ◽

Ekmel Ozbay

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Optical And Electronic Properties

Download Full-text

First principle calculation of helium in La2Zr2O7: Effects on structural, electronic properties and radiation tolerance

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2017.12.024 ◽

2018 ◽

Vol 500 ◽

pp. 72-80 ◽

Cited By ~ 3

Author(s):

C.G. Liu ◽

Y.H. Li ◽

Y.D. Li ◽

L.Y. Dong ◽

J. Wen ◽

...

Keyword(s):

Electronic Properties ◽

Radiation Tolerance ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

Download Full-text

The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation

Materials Research Express ◽

10.1088/2053-1591/abc5df ◽

2020 ◽

Vol 7 (11) ◽

pp. 116301

Author(s):

Qi-Zhi Lang ◽

Yan-Bin Huang ◽

Jie-Min Wei ◽

Yi Wang ◽

Xiang Guo ◽

...

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation ◽

Optical And Electronic Properties ◽

Mos2 Monolayers ◽

Co Doped

Download Full-text

Structural, magnetic and electronic properties of FeF2 by first-principle calculation

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(11)61188-6 ◽

2012 ◽

Vol 22 (2) ◽

pp. 386-390 ◽

Cited By ~ 2

Author(s):

Zhen-hua YANG ◽

Xian-you WANG ◽

Li LIU ◽

Xu-ping SU

Keyword(s):

Electronic Properties ◽

First Principle ◽

Principle Calculation ◽

First Principle Calculation

Download Full-text