SOME PHYSICAL PROPERTIES OF HALF-HEUSLER COMPOUND NaYSi : FIRST-PRINCIPLES STUDY

Journal of Amasya University the Institute of Sciences and Technology ◽

10.54559/jauist.1039136 ◽

2021 ◽

Author(s):

Yasemin ÇİFTCİ

Keyword(s):

Physical Properties ◽

First Principles ◽

Heusler Compound ◽

First Principles Study

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A Prediction of Half-Metallicity in a Co2-Based Full Heusler Compound with the 4d Transition-Metal Element, Co2ZrSi: A First-Principles Study

Journal of the Korean Physical Society ◽

10.3938/jkps.51.155 ◽

2007 ◽

Vol 51 (1) ◽

pp. 155 ◽

Author(s):

Jin Ying Jiu ◽

Jae Il Lee

Keyword(s):

Transition Metal ◽

First Principles ◽

Half Metallicity ◽

Heusler Compound ◽

First Principles Study ◽

Transition Metal Element ◽

Metal Element ◽

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First-principles study on the physical properties for various anticancer drugs using density functional theory (DFT)

Solid State Communications ◽

10.1016/j.ssc.2020.114160 ◽

2021 ◽

Vol 325 ◽

pp. 114160

Author(s):

Mohammed H. Mohammed ◽

Falah H. Hanoon

Keyword(s):

Density Functional Theory ◽

Physical Properties ◽

Anticancer Drugs ◽

First Principles ◽

Density Functional ◽

Functional Theory ◽

First Principles Study

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Influence of Bi doping on physical properties of lead halide perovskites: a comparative first-principles study between CsPbI3 and CsPbBr3

Materials Today Advances ◽

10.1016/j.mtadv.2019.100019 ◽

2019 ◽

Vol 3 ◽

pp. 100019 ◽

Author(s):

Y. Kang ◽

S. Kang ◽

S. Han

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study ◽

Bi Doping ◽

Halide Perovskites ◽

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A first principles study on the full-Heusler compound Mn2CuSi

Physica B Condensed Matter ◽

10.1016/j.physb.2010.12.067 ◽

2011 ◽

Vol 406 (5) ◽

pp. 1139-1142 ◽

Author(s):

Xiao-Ping Wei ◽

Xian-Ru Hu ◽

Shi-Bing Chu ◽

Ge-Yong Mao ◽

Lei-Bo Hu ◽

...

Keyword(s):

First Principles ◽

Heusler Compound ◽

First Principles Study ◽

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Half-metallic full-Heusler compound Ti2NiAl: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2011.02.002 ◽

2011 ◽

Vol 509 (17) ◽

pp. 5187-5189 ◽

Author(s):

Feng Lei ◽

Chengchun Tang ◽

Shuangjin Wang ◽

Wenchen He

Keyword(s):

First Principles ◽

Half Metallic ◽

Heusler Compound ◽

First Principles Study ◽

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Physical Properties of III-Antiminodes — a First Principles Study

Communications in Theoretical Physics ◽

10.1088/0253-6102/52/3/28 ◽

2009 ◽

Vol 52 (3) ◽

pp. 527-533 ◽

Author(s):

Rashid Ahmed ◽

Fazal-E-Aleem ◽

S. Javad Hashemifar ◽

Haris Rashid ◽

H Akbarzadeh

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Study

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Half-metallic Ferromagnetism in the Ti2FeGe Heusler Compound: A First-Principles Study

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-012-1734-7 ◽

2012 ◽

Vol 26 (2) ◽

pp. 381-388 ◽

Author(s):

F. Ahmadian

Keyword(s):

First Principles ◽

Half Metallic ◽

Heusler Compound ◽

First Principles Study ◽

Metallic Ferromagnetism ◽

Half Metallic Ferromagnetism

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First-principles study on phase stability and physical properties of B-site ordered Nd2FeCrO6 double perovskite

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03523a ◽

2021 ◽

Author(s):

Md. Didarul Islam Bhuyan ◽

Rana Hossain ◽

Ferdous Ara ◽

Mohammed Abdul Basith

Keyword(s):

Electronic Structure ◽

Physical Properties ◽

Structural Stability ◽

Phase Stability ◽

Ground State ◽

First Principles ◽

Magnetic Behavior ◽

Double Perovskite ◽

First Principles Study

Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_2$CrFeO$_6$ have been reported. Initially, the ground state of the parent single...

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Stability and physical properties tuning via interstitials chemical engineering of Zr5Sn3: a first-principles study

Journal of Materials Science ◽

10.1007/s10853-019-03622-5 ◽

2019 ◽

Vol 54 (14) ◽

pp. 10284-10296

Author(s):

Hongmei Chen ◽

Yu Cao ◽

Ke Liu ◽

Xiaoma Tao ◽

Yulu Zhou ◽

...

Keyword(s):

Physical Properties ◽

First Principles ◽

Chemical Engineering ◽

First Principles Study

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Physical properties and superconductivity of Heusler compound LiGa2Rh: A first-principles calculation

Solid State Communications ◽

10.1016/j.ssc.2020.113859 ◽

2020 ◽

Vol 311 ◽

pp. 113859

Author(s):

H.Y. Uzunok ◽

Ertuǧrul Karaca ◽

S. Baǧcı ◽

H.M. Tütüncü

Keyword(s):

Physical Properties ◽

First Principles ◽

First Principles Calculation ◽

Heusler Compound

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