UB Paderborn / Katalog / Suche / in CDI

Comparative thermodynamic analysis of LNG, LPG, methanol, ethanol, biodiesel, and hydrogen as alternative fuels in HCCI engines

International journal of applied thermodynamics, 2021-01, Vol.24 (4), p.111-123

2021

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Spin state transition in Bi1−xLaxCoO3 perovskite alloys: DFT+U study

Materials chemistry and physics, 2018-03, Vol.207, p.507-512

2018

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Platinum nitride Pt4N compound: first principles investigations

Indian journal of physics, 2023-09, Vol.97 (10), p.2917-2926

2023

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Evaluation of the relationship between the magnetism and the optical properties in SrTiO3-δ defective systems: Experimental and theoretical studies

Journal of magnetism and magnetic materials, 2019-05, Vol.478, p.175-186

2019

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The electronic properties in the hole-doped 1111 compounds: An ab-initio description

Physica. C, Superconductivity, 2019-04, Vol.559, p.8-13

2019

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Ab initio full-potential study of mechanical properties and magnetic phase stability of rare earth diboride compounds

Journal of applied physics, 2011-07, Vol.110 (1), p.014908-014908-8

2011

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Vacancy defects in strontium titanate: Ab initio calculation

Computational materials science, 2010-10, Vol.49 (4), p.904-909

2010

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First-principles calculations of structural, magnetic phase stability and electronic properties of RVO4 compounds

Computational materials science, 2013-02, Vol.68, p.361-366

2013

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Electronic structure of double perovskite SrTi0.5Co0.5O3: order, disorder, and vacancy effects

Physica. B, Condensed matter, 2024-07, Vol.684, p.415991, Article 415991

2024

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Electronic structure of new superconductor La0.5Th0.5OBiS2: DFT study

Computational Condensed Matter, 2014-12, Vol.1, p.19-25

2014

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Enhanced d0 ferromagnetism via carbon doping in rare-earth sesquioxides: DFT prediction

Journal of magnetism and magnetic materials, 2022-12, Vol.563, p.169910, Article 169910

2022

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B-cation effect on the electronic and magnetic properties of CeBO3 (B=Ga, In) compounds from first principles study

Physica. B, Condensed matter, 2012-03, Vol.407 (5), p.901-906

2012

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Electronic structure and magnetism in ternary gadolinium-based cubic inverse perovskites

Materials science in semiconductor processing, 2013-12, Vol.16 (6), p.1971-1976

2013

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Ab-initio study of the electronic structure and magnetic properties of ACr2Pn2 (A =Ba, Sr, Ca, Sc, K; Pn=As, P)

The Journal of physics and chemistry of solids, 2021-03, Vol.150, p.109850, Article 109850

2021

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Influence of Cation Size on the Electronic and Magnetic Structure of M CoO3 (M = Bi, La) from Ab Initio Calculations

Journal of superconductivity and novel magnetism, 2018-09, Vol.31 (9), p.2925-2934

2018

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Influence of Cation Size on the Electronic and Magnetic Structure of M CoO{sub 3} (M = Bi, La) from Ab Initio Calculations

Journal of superconductivity and novel magnetism, 2018-09, Vol.31 (9)

2018

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First-principle study on electronic structure property of GaN/AlN

IOP conference series. Materials Science and Engineering, 2012-01, Vol.28 (1), p.12006-11

2012

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New 122-materials for optoelectronic applications: An ab-initio comparison analysis

Materials science in semiconductor processing, 2021-10, Vol.133, p.105949, Article 105949

2021

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Optimal Bandgap of Double Perovskite La-Substituted Bi2FeCrO6 for Solar Cells: an ab initio GGA+U Study

Chinese physics letters, 2017-01, Vol.34 (1)

2017

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First-principles study of new half Heusler for optoelectronic applications

Superlattices and microstructures, 2012-06, Vol.51 (6), p.772-784

2012

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Structure and Magnetic Properties of RESn3 Compounds: GGA + U Calculations

Journal of superconductivity and novel magnetism, 2015-07, Vol.28 (7), p.2215-2222

2015

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Optimal Bandgap of Double Perovskite La-Substituted Bi 2 FeCrO 6 for Solar Cells: an ab initio GGA+ U Study

Chinese physics letters, 2017-01, Vol.34 (1), p.16101

2017

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B-cation effect on the electronic and magnetic properties of CeBO 3 (B=Ga, In) compounds from first principles study

Physica. B, Condensed matter, 2012-03, Vol.407 (5), p.901-906

2012

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Magnetic structure and bonding of rare‐earth diboride compounds R B 2 : First‐principles calculations

physica status solidi (b), 2012-07, Vol.249 (7), p.1470-1476

2012

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Ab initio calculations on RE–TM–O3 perovskites: A comparative study of cation effect

Results in physics, 2012, Vol.2, p.156-163

2012

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Comparative thermodynamic analysis of LNG, LPG, methanol, ethanol, biodiesel, and hydrogen as alternative fuels in HCCI engines

Spin state transition in Bi1−xLaxCoO3 perovskite alloys: DFT+U study

Platinum nitride Pt4N compound: first principles investigations

Evaluation of the relationship between the magnetism and the optical properties in SrTiO3-δ defective systems: Experimental and theoretical studies

The electronic properties in the hole-doped 1111 compounds: An ab-initio description

Ab initio full-potential study of mechanical properties and magnetic phase stability of rare earth diboride compounds

Vacancy defects in strontium titanate: Ab initio calculation

First-principles calculations of structural, magnetic phase stability and electronic properties of RVO4 compounds

Electronic structure of double perovskite SrTi0.5Co0.5O3: order, disorder, and vacancy effects

Electronic structure of new superconductor La0.5Th0.5OBiS2: DFT study

Enhanced d0 ferromagnetism via carbon doping in rare-earth sesquioxides: DFT prediction

B-cation effect on the electronic and magnetic properties of CeBO3 (B=Ga, In) compounds from first principles study

Electronic structure and magnetism in ternary gadolinium-based cubic inverse perovskites

Ab-initio study of the electronic structure and magnetic properties of ACr2Pn2 (A =Ba, Sr, Ca, Sc, K; Pn=As, P)

Influence of Cation Size on the Electronic and Magnetic Structure of M CoO3 (M = Bi, La) from Ab Initio Calculations

Influence of Cation Size on the Electronic and Magnetic Structure of M CoO{sub 3} (M = Bi, La) from Ab Initio Calculations

First-principle study on electronic structure property of GaN/AlN

New 122-materials for optoelectronic applications: An ab-initio comparison analysis

Optimal Bandgap of Double Perovskite La-Substituted Bi2FeCrO6 for Solar Cells: an ab initio GGA+U Study

First-principles study of new half Heusler for optoelectronic applications

Structure and Magnetic Properties of RESn3 Compounds: GGA + U Calculations

Optimal Bandgap of Double Perovskite La-Substituted Bi 2 FeCrO 6 for Solar Cells: an ab initio GGA+ U Study

B-cation effect on the electronic and magnetic properties of CeBO 3 (B=Ga, In) compounds from first principles study

Magnetic structure and bonding of rare‐earth diboride compounds R B 2 : First‐principles calculations

Ab initio calculations on RE–TM–O3 perovskites: A comparative study of cation effect

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