The first principle calculation of structural, electronic, magnetic, elastic, thermal and lattice dynamical properties of fully compensated ferrimagnetic spin-gapless heusler alloy Zr 2 MnGa

Dynamical Properties

Pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe from first principle calculation

Condensed Matter Physics ◽

10.5488/cmp.15.13705 ◽

2012 ◽

Vol 15 (1) ◽

pp. 13705 ◽

Cited By ~ 30

Author(s):

Wang ◽

Cao ◽

Huang ◽

Huang

Keyword(s):

Pressure Dependence ◽

First Principle ◽

Principle Calculation ◽

Zinc Blende ◽

Dynamical Properties

The dielectric and dynamical properties of zinc-blende BN, AlN and GaN from first-principle calculation

Science in China Series G ◽

10.1007/s11433-008-0110-x ◽

2008 ◽

Vol 51 (8) ◽

pp. 1037-1045 ◽

Cited By ~ 8

Author(s):

HuanYou Wang ◽

Hui Xu ◽

NingDan Zhang ◽

PengHua Zhang

Keyword(s):

First Principle ◽

Principle Calculation ◽

Zinc Blende ◽

Dynamical Properties

First principle calculation of mechanical stability, opto-electronic and thermo-electric properties of TaIrGeSn (0 ≤ x ≤ 1) Half-Heusler alloy

Computational Condensed Matter ◽

10.1016/j.cocom.2020.e00511 ◽

2020 ◽

Vol 25 ◽

pp. e00511

Author(s):

Aamir Hussain ◽

Muhammad Kashif ◽

Mawloud Belabbas ◽

Misbah Noreen ◽

Faseeh ur Rehman janjua ◽

...

Keyword(s):

Heusler Alloy ◽

Mechanical Stability ◽

Electric Properties ◽

First Principle ◽

Thermo Electric ◽

Principle Calculation ◽

First principle calculation of half metallicity in Ti2MnSb Heusler alloy

10.1063/1.4980560 ◽

2017 ◽

Author(s):

Rakesh Jain ◽

Vivek Kumar Jain ◽

N. Lakshmi ◽

Aarti R. Chandra ◽

K. Venugopalan ◽

...

Keyword(s):

Heusler Alloy ◽

First Principle ◽

Half Metallicity ◽

Principle Calculation ◽

First principle calculation of structural, electronic and magnetic properties of Mn2RhSi Heusler alloy

10.1063/1.5050744 ◽

2018 ◽

Author(s):

Pratik D. Patel ◽

Satyam Shinde ◽

Sanjay D. Gupta

Keyword(s):

Magnetic Properties ◽

Heusler Alloy ◽

First Principle ◽

Principle Calculation ◽

Electronic And Magnetic Properties

The energetic characteristics of surface atoms in Cu clusters: Size and site consideration by first-principle calculation

Vacuum ◽

10.1016/j.vacuum.2020.109971 ◽

2021 ◽

Vol 184 ◽

pp. 109971

Author(s):

S. Zhang ◽

H. Li

Keyword(s):

First Principle ◽

Principle Calculation ◽

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 ◽

Optical And Electronic Properties

Determination of hole mobility in polyethylene: First principle calculation based on Marcus theory

2015 IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP) ◽

10.1109/ceidp.2015.7352018 ◽

2015 ◽

Cited By ~ 8

Author(s):

Masahiro Sato ◽

Akiko Kumada ◽

Kunihiko Hidaka ◽

Toshiyuki Hirano ◽

Fumitoshi Sato

Keyword(s):

Hole Mobility ◽

Marcus Theory ◽

First Principle ◽

Principle Calculation ◽

A combined study of thermodynamic and first-principle calculation for single bond energy of Cu clusters

Journal of Applied Physics ◽

10.1063/1.5083666 ◽

2019 ◽

Vol 125 (9) ◽

pp. 094302

Author(s):

H. Li ◽

H. N. Du ◽

X. W. He ◽

Y. Y. Shen ◽

H. X. Zhang ◽

...

Keyword(s):

Bond Energy ◽

First Principle ◽

Single Bond ◽

Principle Calculation ◽

First principle calculation of oxygen adsorption on a (1 0 0) silicon surface — First stages of the thermal oxidation

Computational Materials Science ◽

10.1016/s0927-0256(97)00171-7 ◽

1998 ◽

Vol 10 (1-4) ◽

pp. 94-98 ◽

Cited By ~ 5

Author(s):

A. Estève ◽

M.Djafari Rouhani ◽

D. Estève

Keyword(s):

Thermal Oxidation ◽

Silicon Surface ◽

Oxygen Adsorption ◽

First Principle ◽

Principle Calculation ◽