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First-principles study of Mn, Al and C distribution and their effect on stacking fault energies in fcc Fe

Journal of alloys and compounds, 2014-01, Vol.582, p.475-482

2014

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Stability of binary and ternary M23C6 carbides from first principles

Computational materials science, 2015-01, Vol.96, p.159-164

2015

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Ab initio simulation of alloying effect on stacking fault energy in fcc Fe

Computational materials science, 2015-03, Vol.99, p.253-255

2015

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Structural, electronic and magnetic properties of eta -carbides M sub(3)W sub(3)C (M = Ti, V, Cr, Mn, Fe, Co, Ni)

Journal of alloys and compounds, 2016-10, Vol.681, p.508-515

2016

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An insight into indium effect on the crystal structure and thermoluminescence of LiMgPO4: Combined experiment and ab initio calculations

Journal of alloys and compounds, 2020-12, Vol.846, p.156242, Article 156242

2020

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Ab initio study of Fe adsorption on the (001) surface of transition metal carbides and nitrides

Computational materials science, 2015-08, Vol.106, p.149-154

2015

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Electronic structure and sodium-ion diffusion in glaserite-type A3−хNa1+х(MoO4)2 (A = Cs, K) studied with first-principles calculations

Solid state ionics, 2020-12, Vol.357, p.1, Article 115484

2020

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First principle study of cobalt impurity in bcc Fe with Cu precipitates

Journal of materials science, 2013-02, Vol.48 (3), p.1377-1386

2013

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Sodium-ion diffusion in alluaudite Na5In(MoO4)4

Solid state ionics, 2020-08, Vol.351, p.115328, Article 115328

2020

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Theoretical and experimental evidences of defects in LiMgPO^sub 4

Journal of alloys and compounds, 2018-10, Vol.766, p.626

2018

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Deformation behavior of Mo^sub 5^SiB^sub 2

Intermetallics, 2017-11, Vol.90, p.54

2017

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The luminescence properties of γ-Al2O3:C produced by precursor method

Journal of alloys and compounds, 2017-03, Vol.698, p.1102-1110

2017

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Luminescence of VO43− centers in LiMgPO4 and LiMgVO4: Effect of [PO4]3−/[VO4]3− substitution on the structure and optical properties

Journal of alloys and compounds, 2017-06, Vol.709, p.1-7

2017

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Electronic and structural properties of cementite-type M3X (M = Fe, Co, Ni; X = C or B) by first principles calculations

Physica. B, Condensed matter, 2006-01, Vol.371 (1), p.126-132

2006

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Effect of vanadium doping on the magnetic properties of LiMnPO sub(4)

Physica Status Solidi. B: Basic Solid State Physics, 2016-05, Vol.253 (5), p.965-975

2016

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First-principles study of structural, elastic, and electronic properties of M sub(23)C sub(6) and MC carbides (M=Ru, Rh, Pd, Os, Ir, and Pt)

Physica Status Solidi. B: Basic Solid State Physics, 2014-01, Vol.251 (1), p.148-154

2014

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Ordering effect on the mechanical, electronic and magnetic properties of the beta -based non-canonical approximant phases: beta -Al sub(50)Cu sub(33)Fe sub(17), eta -Al sub(50)Cu sub(44)Fe sub(6) and phi -Al sub(47.5)Cu sub(49.5)F e sub(3)

Philosophical magazine (Abingdon, England), 2017-05, Vol.97 (13), p.1024-1046

2017

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Cleavage fracture in Ti sub(3)SiC sub(2) from first-principles

Scripta materialia, 2008-04, Vol.58 (8), p.671-674

2008

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Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl

Acta materialia, 1998-06, Vol.46 (10), p.3433-3442

1998

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Electronic origin of solid solution softening in bcc molybdenum alloys

Physical review letters, 2005-04, Vol.94 (13), p.136402-136402, Article 136402

2005

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Ab-initio study of interfacial strength and misfit dislocations in eutectic composites: NiAl/Mo

Acta materialia, 2004-02, Vol.52 (3), p.675-682

2004

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Electronic properties of single-walled V2O5 nanotubes

Solid state communications, 2003-05, Vol.126 (9), p.489-493

2003

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Analysis of correlations of multiple - performance characteristics for optimization of CO2 laser nitrogen cutting of AISI 304 stainless steel

Journal of engineering science and technology review, 2014-07, Vol.7 (2), p.16-21

2014

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Electronic properties of ThSiO4 polymorphs (thorite and huttonite) from first principles calculations

Physica Status Solidi (b), 2006-05, Vol.243 (6), p.R44-R46

2006

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Structural properties, electronic structure, Fermi surface, and mechanical behavior of bcc Cr-Re alloys

Physical review. B, Condensed matter, 2003-04, Vol.67 (13), Article 134204

2003

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First-principles study of Mn, Al and C distribution and their effect on stacking fault energies in fcc Fe

Stability of binary and ternary M23C6 carbides from first principles

Ab initio simulation of alloying effect on stacking fault energy in fcc Fe

Structural, electronic and magnetic properties of eta -carbides M sub(3)W sub(3)C (M = Ti, V, Cr, Mn, Fe, Co, Ni)

An insight into indium effect on the crystal structure and thermoluminescence of LiMgPO4: Combined experiment and ab initio calculations

Ab initio study of Fe adsorption on the (001) surface of transition metal carbides and nitrides

Electronic structure and sodium-ion diffusion in glaserite-type A3−хNa1+х(MoO4)2 (A = Cs, K) studied with first-principles calculations

First principle study of cobalt impurity in bcc Fe with Cu precipitates

Sodium-ion diffusion in alluaudite Na5In(MoO4)4

Theoretical and experimental evidences of defects in LiMgPO^sub 4

Deformation behavior of Mo^sub 5^SiB^sub 2

The luminescence properties of γ-Al2O3:C produced by precursor method

Luminescence of VO43− centers in LiMgPO4 and LiMgVO4: Effect of [PO4]3−/[VO4]3− substitution on the structure and optical properties

Electronic and structural properties of cementite-type M3X (M = Fe, Co, Ni; X = C or B) by first principles calculations

Effect of vanadium doping on the magnetic properties of LiMnPO sub(4)

First-principles study of structural, elastic, and electronic properties of M sub(23)C sub(6) and MC carbides (M=Ru, Rh, Pd, Os, Ir, and Pt)

Ordering effect on the mechanical, electronic and magnetic properties of the beta -based non-canonical approximant phases: beta -Al sub(50)Cu sub(33)Fe sub(17), eta -Al sub(50)Cu sub(44)Fe sub(6) and phi -Al sub(47.5)Cu sub(49.5)F e sub(3)

Cleavage fracture in Ti sub(3)SiC sub(2) from first-principles

Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl

Electronic origin of solid solution softening in bcc molybdenum alloys

Ab-initio study of interfacial strength and misfit dislocations in eutectic composites: NiAl/Mo

Electronic properties of single-walled V2O5 nanotubes

Analysis of correlations of multiple - performance characteristics for optimization of CO2 laser nitrogen cutting of AISI 304 stainless steel

Electronic properties of ThSiO4 polymorphs (thorite and huttonite) from first principles calculations

Structural properties, electronic structure, Fermi surface, and mechanical behavior of bcc Cr-Re alloys

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