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1. Al-Zoubi N, Schönecker S, Li X, Li W, Johansson B, Vitos L: Elastic properties of 4d transition metal alloys: Values and trends. COMPUT MATER SCI 159: 273-280 (2019) DOI
2. Balla P, Iqbal Y, Penc K: Affine lattice construction of spiral surfaces in frustrated Heisenberg models. PHYS REV B 100:14 140402 pp. 1-5 (2019) DOI
3. Dai JH, Li W, Song Y, Vitos L: Theoretical investigation of the phase stability and elastic properties of TiZrHfNb-based high entropy alloys. MATER DES 182: 108033 pp. 1-9 (2019) DOI
4. Dong Z, Vitos L: Finite temperature magnetic properties of CrxCoyNi100−x−y medium entropy alloys from first principles. SCR MATER 171: 78-82 (2019) DOI
5. Dong Z, Schönecker S, Chen D, Li W, Lu S, Vitos L: Influence of Mn content on the intrinsic energy barriers of paramagnetic FeMn alloys from longitudinal spin fluctuation theory. INT J PLAST 119: 123-139 (2019) DOI
6. Gehlot K, Sinha AK, Varga LK, Avasthi DK, Kane SN: Irradiation induced modification of medium range order in nano-crystalline metallic glassusing synchrotron diffraction”, AIP Conference Proceedings 2142, 070005 pp. 1-6 (2019) (Proc. Advances in basic science, ICABS 2019, Bahal, India, 7–9 February 2019 ) DOI
7. Huang S, Li W, Holmström E, Kwon SK, Eriksson O, Vitos L: Plastic deformation transition in FeCrCoNiAlx high-entropy alloys. MATER RES LETT 7:11 439-445 (2019) DOI
8. Kim FH, Assaad FF, Penc K, Mila F: Dimensional crossover in the SU(4) Heisenberg model in the six-dimensional antisymmetric self-conjugate representation revealed by quantum Monte Carlo and linear flavor-wave theory. PHYS REV B 100:8 085103 pp. 1-8 (2019) DOI
9. Kiss A: Self-energy Pade approach for analytic continuation: Application to the zero-gap Kondo lattice model. PHYS REV B 100:21 214417 pp. 1-11 (2019) DOI
10. Lászlóffy A, Rózsa L, Palotás K, Udvardi L, Szunyogh L: Magnetic structure of monatomic Fe chains on Re(0001): Emergence of chiral multispin interactions. PHYS REV B 99:18 184430 (2019) DOI
11. Lattemann M, Xie RW, Lizarraga R, Vitos L, Holmstrom E: Understanding quality control of hard metals in industry - A quantum mechanics approach. ADV THEOR SIMUL 2:6 1900035 pp. 1-5 (2019) DOI
12. Lee T, Lee YJ, Palotás K, Lee G, Stampfl C, Soon A: Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111). NANOSCALE 11:13 6023-6035 (2019) DOI
13. Levamaki H, Tian L-Y, Vitos L, Ropo M: An automated algorithm for reliable equation of state fitting of magnetic systems. COMPUT MATER SCI 156: 121-128 (2019) DOI
14. Liu L, Huang S, Vitos L, Dong M, Bykova E, Zhang D, Almqvist BSG, Ivanov S, Rubensson J-E, Varga B, Varga LK, Lazor P: Pressure-induced magnetovolume effect in CoCrFeAl high-entropy alloy. COMMUN PHYS 2:1 42 pp. 1-9 (2019) DOI
15. Li X, Wei D, Vitos L, Lizárraga R: Micro-mechanical properties of new alternative binders for cemented carbides: CoCrFeNiWx high-entropy alloys. J ALLOYS COMPD 820: 153141 pp. 1-6 (2019) DOI
16. Li XJ, Schonecker SQ, Li XZ, Hao SJ, Zhao JJ, Johansson B, Vitos L: First-principles study of crystal-face specificity in surface properties of Fe-rich Fe-Cr alloys. PHYS REV MATER 3:3 034401 pp. 1-13 (2019) DOI
17. Ly TT, Lee T, Kim S, Lee Y-J, Duvjir G, Jang K, Palotás K, Jeong S-Y, Soon A, Kim J: Growing ultrathin Cu2O films on highly crystalline Cu(111): A closer inspection from microscopy and theory. J PHYS CHEM C 123:20 12716-12721 (2019) DOI
18. Molnár D, Vida Á, Huang S, Chinh NQ: The effect of cooling rate on the microstructure and mechanical properties of NiCoFeCrGa high-entropy alloy. J MATER SCI 54:6 5074-5082 (2019) DOI
19. Molnár D, Sun X, Lu S, Li W, Engberg G, Vitos L: Effect of temperature on the stacking fault energy and deformation behaviour in 316L austenitic stainless steel. MATER SCI ENG A 759: 490-497 (2019) DOI
20. Molnár D, Engberg G, Li W, Lu S, Hedström P, Kwon SK, Vitos L: Experimental study of the γ-surface of austenitic stainless steels. ACTA MATER 173: 34-43 (2019) DOI
21. Neilson J, Chinkezian H, Phirke H, Osei-Twumasi A, Li YB, Chichiri C, Cho JW, Palotás K, Gan LB, Garrett SJ, Lau KC, Gao L: Nitrogen-doped graphene on copper: Edge-guided doping process and doping-induced variation of local work function. J PHYS CHEM C 123:14 8802-8812 (2019) DOI
22. Ren GD, Dai C-R, Mei W, Sun J, Lu S, Vitos L: Formation and temporal evolution of modulated structure in high Nb-containing lamellar γ-TiAl alloy. ACTA MATER 165: 215-227 (2019) DOI
23. Rossi L, Bobel A, Wiedmann S, Kuechler R, Motome Y, Penc K, Shannon N, Ueda H, Bryant B: Negative thermal expansion in the plateau state of a magnetically frustrated spinel. PHYS REV LETT 123:2 027205 pp. 1-6 (2019) DOI
24. Schneider L,; Steinbrecher M, Rózsa L, Bouaziz J, Palotás K, dos Santos Dias M, Lounis S, Wiebe J, Wiesendanger R: Magnetism and in-gap states of 3d transition metal atoms on superconducting Re. NPJ QUANTUM MATER 4:1 42 pp. 1-8 (2019) DOI
25. Tian L-Y, Levämäki H, Eriksson O, Kokko K, Nagy Á, Délczeg-Czirják EK, Vitos L: Density Functional Theory description of the order-disorder transformation in Fe-Ni. SCI REP 9:1 8172 pp. 1-7 (2019) DOI
26. Tian LY, Levamaki H, Kuisma M, Kokko K, Nagy A, Vitos L: Density functional theory description of random Cu-Au alloys. PHYS REV B 99:6 064202 pp. 1-8 (2019) DOI
27. Viirok J, Nagel U, Room T, Farkas DG, Balla P, Szaller D, Kocsis V, Tokunaga Y, Taguchi Y, Tokura Y. Bernáth B, D. L. Kamenskyi DL, Kézsmárki I, Bordács S, Penc K: Directional dichroism in the paramagnetic state of multiferroics: A case study of infrared light absorption in Sr2CoSi2O7 at high temperatures. PHYS REV B 99:1 014410 pp. 1-14 (2019) DOI
28. Xie R, Lizárraga R, Linder D, Hou Z, Ström V, Lattemann M, Holmström E, Li W, Vitos L: Quantum mechanics basis of quality control in hard metals. ACTA MATER 169: 1-8 (2019) DOI
29. Xie RW, Li W, Lu S, Song Y, Vitos L: Generalized stacking fault energy of carbon-alloyed paramagnetic gamma-Fe. J PHYS CONDENS MATTER 31:6 065703 pp. 1-11 (2019) DOI
30. Zhang X, Xue N, Li C, Li N, Wang H, Kocić N, Beniwal S, Palotás K, Li R, Xue Q, Maier S, Hou S, Wang Y: Coordination-controlled C-C coupling products via ortho-site C-H activation. ACS NANO 13:2 1385-1393 (2019) DOI
31. Zhao W, Li W,; Li X, Gong S, Vitos L, Sun Z: Thermo-mechanical properties of Ni-Mo solid solutions: A first-principles study. COMPUT MATER SCI 158: 140-148 (2019) DOI
See also: S-G.4 Bakonyi I et al., PHILOS MAG 99:9 1139-1162 (2019) DOI



1. Bhardwaj V, Pal SP, Varga LK, Tomar M, Gupta V, Chatterjee R: Weak antilocalization and quantum oscillations of surface states in topologically nontrivial DyPdBi(110)Half Heusler alloy. SCI REP-UK 8:1 9931/1-9 (2018) DOI
2. Choi YW, Koo YM, Kwon SK, Vitos L: Ordered phases in Fe-Si alloys: A first-principles study. J KOREAN PHYS SOC 72:6 737-740 (2018) DOI
3. Csire G, Újfalussy B, Annett JF: Nonunitary triplet pairing in the noncentrosymmetric superconductor LaNiC2. EUR PHYS J B 91:10 217/1-7 (2018) DOI
4. Csire G, Deák A, Nyári B, Ebert H, Annett JF, Újfalussy B: Relativistic spin-polarized KKR theory for superconducting heterostructures: Oscillating order parameter in the Au layer of Nb/Au/Fe trilayers. PHYS REV B 97:2 024514/1-9 (2018) DOI
5. Dong Z, Schönecker S, Li W, Kwon SK, Vitos L: Plastic deformation modes in paramagnetic γ-Fe from longitudinal spin fluctuation theory. INT J PLASTICITY 109: 43-53 (2018) DOI
6. Dong ZH, Schonecker S, Li W, Chen DF, Vitos L: Thermal spin fluctuations in CoCrFeMnNi high entropy alloy. SCI REP-UK 8: 12211/1-7 (2018) DOI
7. Fazakas É, Zadorozhnyy V, Louzguine-Luzgin DV: Erratum to “Effect of iron content on the structure and mechanical properties of Al25Ti25Ni25Cu25 and (AlTi)60-xNi20Cu20Fex (x = 15, 20) high-entropy alloys” [Appl. Surf. Sci. 358 (2015) 549–555]. APPL SURF SCI 437: 453 (2018) DOI
8. Holmström E, Lizárraga R, Linder D, Salmasi A, Wang W, Kaplan B, Mao H, Larsson H, Vitos L: High entropy alloys: Substituting for cobalt in cutting edge technology. APPL MATER TODAY 12: 322-329 (2018) DOI
9. Hsu P-J, Rózsa L, Finco A, Schmidt L, Palotás K, Vedmedenko E, Udvardi L, Szunyogh L, Kubetzka A, Von Bergmann K, Wiesendanger R: Inducing skyrmions in ultrathin Fe films by hydrogen exposure. NAT COMMUN 9:1 1571/1-7 (2018) DOI
10. Huang H, Li X, Dong Z, Li W, Huang S, Meng D, Lai X, Liu T, Zhu S, Vitos L: Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys. ACTA MATER 149: 388-396 (2018) DOI
11. Huang S, Holmström E, Eriksson O, Vitos L: Mapping the magnetic transition temperatures for medium- and high-entropy alloys. INTERMETALLICS 95: 80-84 (2018) DOI
12. Huang S, Li W, Holmstrom E, Vitos L: Strengthening induced by magnetochemical transition in Al-doped Fe-Cr-Co-Ni high-entropy alloys. PHYS REV APPL 10:6 064033/1-7 (2018) DOI
13. Huang S, Li W, Holmström E, Vitos L: Phase-transition assisted mechanical behavior of TiZrHfTax high-entropy alloys. SCI REP-UK 8:1 12576/1-6 (2018) DOI
14. Huang S, Huang H, Li W, Kim D, Lu S, Li X, Holmström E, Kwon SK, Vitos L: Twinning in metastable high-entropy alloys. NAT COMMUN 9:1 2381/1-7 (2018) DOI
15. Huang S, Li XQ, Huang H, Holmstrom E, Vitos L: Mechanical performance of FeCrCoMnAlx high-entropy alloys from first-principle. MATER CHEM PHYS 210: 37-42 (2018) DOI
16. Huang S, Vida Á, Heczel A, Holmström E, Vitos L: Correction to: Thermal expansion, elastic and magnetic properties of FeCoNiCu-based high-entropy alloys using first-principle theory. JOM-J MIN MET MAT S 70:6 1037. (2018) DOI
17. Huang S, Tian F, Vitos L: Elasticity of high-entropy alloys from ab initio theory. J MATER RES 33:19 2938-2953 (2018) DOI
18. Ji Z-W, Lu S, Hu Q-M, Kim D, Yang R, Vitos L: Mapping deformation mechanisms in lamellar titanium aluminide. ACTA MATER 144:835-843 (2018) DOI
19. Kocsis V, Penc K, Room T, Nagel U, Vit J, Romhányi J, Tokunaga Y, Taguchi Y, Tokura Y, Kézsmárki I, Bordács S: Identification of antiferromagnetic domains via the optical magnetoelectric effect. PHYS REV LETT 121:5 057601/1-5 (2018) DOI
20. Landa A, Soederlind P, Naumov II, Klepeis JE, Vitos L: Kohn anomaly and phase stability in group VB transition metals. COMPUTATION 6:2 29/1-19 (2018) DOI
21. Lázár K, Varga LK, Kovács Kis V, Fekete T, Klencsár Z, Stichleutner S, Szabó L, Harsányi I: Electric explosion of steel wires for production of nanoparticles: Reactions with the liquid media. J ALL COMPD 763: 759-770 (2018) DOI
22. Lee J-Y, Punkkinen MPJ, Schönecker S, Nabi Z, Kádas K, Zólyomi V, Koo YM, Hu Q-M, Ahuja R, Johansson B, Kollár J, Vitos L, Kwon SK: The surface energy and stress of metals. SURF SCI 674: 51-68 (2018) DOI
23. Levämäki H, Tian L, Kokko K, Vitos L: Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds. EUR PHYS J B 91:6 128/1-7 (2018) DOI
24. Levämäki H, Tian L, Kokko K, Vitos L: Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds. EUR PHYS J B 91:6 128/1-7 (2018) DOI
25. Levämäki H, Nagy Á, Vilja I, Kokko K, Vitos L: Kullback-Leibler and relative Fisher information as descriptors of locality. INT J QUANTUM CHEM 118:12 e25557/1-12 (2018) DOI
26. Li XQ, Irving DL, Vitos L: First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys. SCI REP UK 8: 11196/1-8 (2018) DOI
27. Li XQ, Schonecker S, Li W, Varga LK, Irving DL, Vitos L: Tensile and shear loading of four fcc high-entropy alloys: A first-principles study. PHYS REV B 97:9 094102/1-9 (2018) DOI
28. Lizarraga R, Holmstrom E, Vitos L: Alloying effect of tungsten on the structural and magnetic properties of CoCrFeNiW high entropy alloys. PHYS REV MATER 2:9 094407/1-7 (2018) DOI
29. Lu S, Ågren J, Vitos L: Ab initio study of energetics and structures of heterophase interfaces: From coherent to semicoherent interfaces. ACTA MATER 156: 20-30 (2018) DOI
30. McClarty PA, Dong XY, Gohlke M, Rau JG, Pollmann F, Moessner R, Penc K: Topological magnons in Kitaev magnets at high fields. PHYS REV B 98:6 060404/1-6 (2018) DOI
31. Östlin A, Vitos L, Chioncel L: Correlated electronic structure with uncorrelated disorder. PHYS REV B 98:23 235135/1-13 (2018) DOI
32. Schönecker S, Li X, Richter M, Vitos L: Lattice dynamics and metastability of fcc metals in the hcp structure and the crucial role of spin-orbit coupling in platinum. PHYS REV B 97:22 224305/1-10 (2018) DOI
33. Varga LK, Kovac J: Decomposing the permeability spectra of nanocrystalline finemet core. AIP ADVANCES 8:4 047205/1-6 (2018) DOI
34. Vida Á, Maksa Z, Molnár D, Huang S, Kovac J, Varga LK, Vitos L, Chinh NQ: Evolution of the phase structure after different heat treatments in NiCoFeCrGa high entropy alloy. J ALL COMPD 743: 234-239 (2018) DOI
35. Yang Z-B, Sun J, Lu S, Vitos L: Assessing elastic property and solid-solution strengthening of binary Ni–Co, Ni–Cr, and ternary Ni–Co–Cr alloys from first-principles theory. J MATER RES 33:18 2763-2774. (2018) DOI
36. Zhang H, Sun X, Lu S, Dong Z, Ding X, Wang Y, Vitos L: Elastic properties of AlxCrMnFeCoNi (0 ≤ x ≤ 5) high-entropy alloys from ab initio theory. ACTA MATER 155: 12-22 (2018) DOI

Conference proceedings

37. Fazakas É, Heczel A, Molnár D, Varga B, Zadorozhnyy V, Vida Á: Comparative microstructural and corrosion development of VCrNiCoFeCu equiatomic multicomponent alloy produced by induction melting and spark plasma sintering. In: Proc. E-MRS Fall Symposium I: Solutions for Critical Raw Materials Under Extreme Conditions, 18–21 September 2017, Warsaw, Poland IOP CONF SER-MAT SCI 329 012016/1-10 (2018) DOI
38. Gehlot K, Kane SN, Sinha AK, Ghodke N, Varga LK: Influence of Fe/Co ratio on structural and magnetic properties of (Fe100-xCox)84.5Nb5B8.5P2 alloy. In: Proc. 2nd International Conference on Condensed Matter and Applied Physics (ICC 2017, Bikaner, India, 24–25 November 2017) AIP CONF PROC 1953 030134/1-4 (2018) DOI
39. Shah, M. ; Satalkar, M. ; Kane, S.N. ; Ghodke, N.L. ; Sinha, A.K. ; Varga, L.K. ; Teixeira, J.M. ; Araujo, J.P: Thermal treatment induced modification of structural, surface and bulk magnetic properties of Fe61.5Co5Ni8Si13.5B9Nb3 metallic glass. In: Proc. 2nd International Conference on Condensed Matter and Applied Physics (ICC 2017, Bikaner, India, 24–25 November 2017) AIP CONF PROC 1953 120043/1-5 p. (2018) DOI



1. Akaki M, Yoshizawa D, Okutani A, Kida T, Romhányi J, Penc K, Hagiwara M: Direct observation of spin-quadrupolar excitations in Sr2CoGe2O7 by high-field electron spin resonance. PHYS REV B 96:(21) 214406/1-16 (2017)
2. Al-Zoubi N, Schönecker S, Johansson B, Vitos L: Assessing the Exact Muffin-Tin Orbitals method for the Bain path of metals. PHILOS MAG 97:(15) 1243-1264 (2017)
3. Barmina E, Kosogor A, Khovaylo V, Gorshenkov M, Lyange M, Kuchin D, Dilmieva E, Koledov V, Shavrov V, Taskaev S, Chatterjee R, Varga LK: Thermomechanical properties and two-way shape memory effect in melt spun Ni57Mn21Al21Si1 ribbons. J ALLOY COMPD 696: 310-314 (2017)
4. Li C-M, Johansson B, Vitos L: Physical mechanism of δ-δ′-ϵ phase stability in plutonium. SCI REP-UK 7:(1) 5632/1-7 (2017)
5. Dong Z, Li W, Chen D, Schönecker S, Long M, Vitos L: Longitudinal spin fluctuation contribution to thermal lattice expansion of paramagnetic Fe. PHYS REV B 95:(5) 054426/1-9 (2017)
6. Dong ZH, Schonecker S, Chen DF, Li W, Long MJ, Vitos L: Elastic properties of paramagnetic austenitic steel at finite temperature: Longitudinal spin fluctuations in multicomponent alloys. PHYS REV B 96:(17) 174415/1-12 (2017)
7. Finco A, Rózsa L, Hsu PJ, Kubetzka A, Vedmedenko E, von Bergmann K, Wiesendanger R: Temperature-induced increase of spin spiral periods. PHYS REV LETT 119:(3) 037202/1-5 (2017)
8. Huang S, Vida Á, Li W, Molnár D, Kwon SK, Holmström E, Varga B, Varga LK, Vitos L: Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experiment. APPL PHYS LETT 110:(24) 241902-1-5 (2017)
9. Huang S, Vida Á, Heczel A, Holmström E, Vitos L: Thermal expansion, elastic and magnetic properties of FeCoNiCu-based high-entropy alloys using first-principle theory. JOM-J MIN MET MAT S 69:(11) 2107-2112 (2017)
10. Kim FH, Penc K, Nataf P, Mila F: Linear flavor-wave theory for fully antisymmetric SU(N) irreducible representations. PHYS REV B 96:(20) 205142/1-11 (2017)
11. Kovac J, Novak L, Varga LK: Study of the magnetization processes in amorphous and nanocrystalline FINEMET by the numerical decomposition of the hysteresis loops. ACTA PHYS POL A 131:(4) 732-734 (2017) (Proc. 16th Czech and Slovak Conference on Magnetism (CSMAG), Košice, Slovakia: 13-17 June 2016)
12. Lakatos-Varsányi M, Murányi R, Hajdu F, Berényi R, Varga LK: Nanostructured pulsed current metal coatings of Fe and Fe–Ni for microelectronic applications. T I MET FINISH 95:(1) 6-8 (2017)
13. Lee J-Y, Koo YM, Lu S, Vitos L, Kwon SK: The behaviour of stacking fault energy upon interstitial alloying. SCI REP-UK 7:(1) 11074/1-6 (2017)
14. Li X, Schönecker S, Zhao J, Vitos L, Johansson B: Elastic anharmonicity of bcc Fe and Fe-based random alloys from first-principles calculations. PHYS REV B 95:(2) 024203/1-11 (2017)
15. Lizárraga R, Pan F, Bergqvist L, Holmström E, Gercsi Z, Vitos L: First principles theory of the hcp-fcc phase transition in cobalt. SCI REP-UK 7:(1) 3778/1-8 (2017)
16. Lu S , Li RH, Kádas K , Zhang HL, Tian YZ, Kwon SK, Kokko K , Hu Q-M, Hertzman S , Vitos L: Stacking fault energy of C-alloyed steels: The effect of magnetism. ACTA MATER 122: 72-81 (2017)
17. Östlin A, Vitos L, Chioncel L: Analytic continuation-free Green's function approach to correlated electronic structure calculations. PHYS REV B 96:(12) 125156/1-13 (2017)
18. Palotás K, Rózsa L, Simon E, Udvardi L, Szunyogh L: Spin-polarized scanning tunneling microscopy characteristics of skyrmionic spin structures exhibiting various topologies. PHYS REV B 96:(2) 024410/1-9 (2017)


19. Rózsa L, Palotás K, Deák A, Simon E, Yanes R, Udvardi L, Szunyogh L, Nowak U: Formation and stability of metastable skyrmionic spin structures with various topologies in an ultrathin film. PHYS REV B 95:(9) 094423/1-9 (2017)
20. Rózsa L, Atxitia U, Nowak U: Temperature scaling of the Dzyaloshinsky-Moriya interaction in the spin wave spectrum. PHYS REV B 96:(9) 094436/1-11 (2017)
21. Song HQ, Tian FY, Hu QM, Vitos L, Wang YD, Shen J, Chen NX: Local lattice distortion in high-entropy alloys. PHYS REV MATER 1:(2) 023404/1-8 (2017)
22. Sun X, Zhang H, Lu S, Ding X, Wang Y, Vitos L: Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from first-principles. ACTA MATER 140: 366-374 (2017)
23. Szolnoki L, Kiss A, Dora B, Simon F: Spin-relaxation time in materials with broken inversion symmetry and large spin-orbit coupling. SCI REP UK 7:(1) 9949/1-10 (2017)
24. Szolnoki L, Dora B, Kiss A, Fabian J, Simon F: An intuitive approach to the unified theory of spin relaxation. PHYS REV B 96:(24) 245123/1-9 (2017)
25. Tian F, Wang Y, Vitos L: Impact of aluminum doping on the thermo-physical properties of refractory medium-entropy alloys. J APPL PHYS 121:(1) 015105/1-9 (2017)
26. Tian FY, Varga LK, Vitos L: Predicting single phase CrMoWX high entropy alloys from empirical relations in combination with first-principles calculations. INTERMETALLICS 83: 9-16 (2017)
27. Tian L-Y, Ye L-H, Hu Q-M, Lu S , Zhao JJ, Vitos L: CPA descriptions of random Cu-Au alloys in comparison with SQS approach. COMP MATER SCI 128: 302-309 (2017)
28. Tian L-Y, Wang G, Harris JS, Irving DL, Zhao J, Vitos L: Alloying effect on the elastic properties of refractory high-entropy alloys. MATER DESIGN 114: 243-252 (2017)
29. Tian L-Y, Lizárraga R, Larsson H, Holmström E, Vitos L: A first principles study of the stacking fault energies for fcc Co-based binary alloys. ACTA MATER 136: 215-223 (2017)
30. Vida Á, Chinh NQ, Lendvai J, Heczel A, Varga LK: Microstructures and transition from brittle to ductile behavior of NiFeCrMoW high entropy alloys. MATER LETT 195: 14-17 (2017)
31. Zhao W, Li W, Sun Z, Gong S, Vitos L: Tuning the plasticity of Ni-Mo solid solution in Ni-based superalloys by ab initio calculations. MATER DESIGN 124: 100-107 (2017)



1. Li C-M, Yang R, Johansson B, Vitos L: Anomalous thermodynamic properties and phase stability of δ-Pu1-xMx (M= Ga and Al) alloys from first-principles calculations. PHYS REV B 94:(21) 214108/1-8 (2016) DOI
2. Csire G, Cserti J, Ujfalussy B: First principles based proximity effect of superconductor-normal metal heterostructures. J PHYS-CONDENS MAT 28:(49) 495701/1-7 (2016) DOI
3. Csire G, Schönecker S, Újfalussy B: First-principles approach to thin superconducting slabs and heterostructures. PHYS REV B 94:(14) 140502/1-5 (2016) DOI
4. Csire G, Cserti J, Tutto I, Ujfalussy B: Prediction of superconducting transition temperatures of heterostructures based on the quasiparticle spectrum. PHYS REV B 94:(10) 104511/1-4 (2016) DOI
5. Dong Z, Chen D, Long M, Li W, Chen H, Vitos L: Computation of phase fractions in austenite transformation with the dilation curve for various cooling regimens in continuous casting. METAL MATER TRANS B 47:(3) 1553-1564 (2016) DOI
6. Huang S, Li W, Li X, Schönecker S, Bergqvist L, Holmström E, Varga LK, Vitos L: Mechanism of magnetic transition in FeCrCoNi-based high entropy alloys. MATER DESIGN 103: 71-74 (2016) DOI
7. Kim D, Vitos L: Tuned magnetic properties of L10-MnGa/Co(001) films by epitaxial strain. SCI REP-UK 6: 19508/1-8 (2016) DOI
8. Kiss A, Szolnoki L, Simon F: The Elliott-Yafet theory of spin relaxation generalized for large spin-orbit coupling. SCI REP-UK 6: 22706/1-10 (2016) DOI
9. Li G, Eriksson O, Johansson B, Vitos L: Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy. J PHYS-CONDENS MAT 28:(21) 216002/1-6 (2016) DOI
10. Li R, Lu S, Kim D, Schönecker S, Zhao J, Kwon SK, Vitos L: Stacking fault energy of face-centered cubic metals: Thermodynamic and ab initio approaches. J PHYS-CONDENS MAT 28:(39) 395001/1-10 (2016) DOI
11. Li W, Lu S, Kim D, Kokko K, Hertzman S, Kwon SK, Vitos L: First-principles prediction of the deformation modes in austenitic Fe-Cr-Ni alloys. APPL PHYS LETT 108:(8) 081903/1-4 (2016) DOI
12. Li W, Lu S, Hu Q-M, Johansson B, Kwon SK, Grehk M, Johnsson JY, Vitos L: Generalized stacking fault energy of γ-Fe. PHILOS MAG 96:(6) 524-541 (2016) DOI
13. Li X, Schönecker S, Li R, Li X, Wang Y, Zhao J, Johansson B, Vitos L: Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: Effects of transmutation of W. J PHYS-CONDENS MAT 28:(29) Paper 295501. 11 p. (2016) DOI
14. Li X, Schönecker S, Zhao J, Johansson B, Vitos L: Alloying effect on the ideal tensile strength of ferromagnetic and paramagnetic bcc iron. J ALLOY COMPD 676: 565-574 (2016) DOI
15. Nataf P, Lajkó M, Wietek A, Penc K, Mila F, Läuchli AM: Chiral spin liquids in triangular-lattice SU (N) fermionic Mott Insulators with artificial gauge fields. PHYS REV LETT 117:(16) 167202/1-6 (2016) DOI
16. Nataf P, Lajkó M, Corboz P, Läuchli AM, Penc K, Mila F: Plaquette order in the SU(6) Heisenberg model on the honeycomb lattice. PHYS REV B 93:(20) 201113/1-6 (2016) DOI
17. Nurmi E, Wang G, Kokko K, Vitos L: Assessing the elastic properties and ductility of Fe–Cr–Al alloys from ab initio calculations. PHILOS MAG 96:(2) 122-133 (2016) DOI
18. Nurmi E, Tuuli E, Levämäki H, Kokko K, Leiro J, Vitos L: Directional Young’s modulus of single-crystal and cold-rolled titanium from ab initio calculations: Preferred crystal orientation due to cold rolling. PHILOS MAG 96:(26) 2736-2751 (2016) DOI
19. Oshtrakh MI, Klencsár Z, Semionkin VA, Kuzmann E, Homonnay Z, Varga LK: Annealed FINEMET ribbons: Structure and magnetic anisotropy as revealed by the high velocity resolution Mössbauer spectroscopy. MATER CHEM PHYS 180: 66-74 (2016) DOI
20. Östlin A, Appelt WH, Di Marco I, Sun W, Radonjić M, Sekania M, Vitos L, Tjernberg O, Chioncel L: Electronic structure of palladium in the presence of many-body effects. PHYS REV B 93:(15) 155152/1-11 (2016) DOI
21. Östlin A, Di Marco I, Locht ILM, Lashley JC, Vitos L: Stacking fault energetics of α- and γ-cerium investigated with ab initio calculations. PHYS REV B 93:(9) 094103/1-8  (2016) DOI
22. Hu Q-M, Yang R, Johansson B, Vitos L: Composition dependent hardness of covalent solid solutions and its electronic structure origin. CERAM ENG SCI PROC 36:(8) 143-151 (2016) (Developments in Strategic Ceramic Materials - 39th International Conference on Advanced Ceramics and Composites, ICACC 2015. 2015.01.25 -2015.01.30. (ISBN 9781119040439) DOI
23. Rózsa L, Simon E, Palotás K, Udvardi L, Szunyogh L: Complex magnetic phase diagram and skyrmion lifetime in an ultrathin film from atomistic simulations. PHYS REV B 93:(2) 024417/1-10 (2016) DOI
24. Rózsa L, Deák A, Simon E, Yanes R, Udvardi L, Szunyogh L, Nowak U: Skyrmions with attractive interactions in an ultrathin magnetic film. PHYS REV LETT 117:(15) 157205/1-6 (2016) DOI
25. Seredina M, Lyange M, Khovaylo V, Taskaev S, Miki H, Takagi T, Singh R, Chatterjee R, Varga LK: Electric resistivity and hall effect of ni(Co)-mn-al melt spun ribbons. MATER SCI FORUM 845: 65-68 (2016) DOI
26. Streltsov DR, Buzin AI, Dmitryakov PV, Kamasa P, Ivanov DA, Chvalun SN: A study of p-xylylene polymerization kinetics using high-vacuum in-situ differential scanning calorimetry. THERMOCHIM ACTA 643: 65-72 (2016) DOI
27. Tian F, Varga LK, Shen J, Vitos L: Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors. COMP MATER SCI 111: 350-358 (2016) DOI
28. Tian L-Y, Levämäki H, Ropo M, Kokko K, Nagy Á, Vitos L: Exchange-correlation catastrophe in Cu-Au: A challenge for semilocal density functional approximations. PHYS REV LETTER 117:(6) 066401/1-5 (2016) DOI
29. Uusitalo R-R, Lahti A, Levämäki H, Punkkinen MPJ, Vilja I, Kokko K, Vitos L: Order–disorder transition of alloys. PHILOS MAG 96:(36) 3697-3710 (2016) DOI
30. Vida A, Varga LK, Chinh NQ, Molnar D, Huang S, Vitos L: Effects of the sp element additions on the microstructure and mechanical properties of NiCoFeCr based high entropy alloys. MAT SCI ENG A-STRUCT 669: 14-19 (2016) DOI
31. Vida GyJ, Simon E, Rózsa L, Palotás K, Szunyogh L: Domain-wall profiles in Co/Irn /Pt(111) ultrathin films: Influence of the Dzyaloshinskii-Moriya interaction. PHYS REV B 94:(21) 214422/1-9 (2016) DOI
32. Zhang S-Z, Cui H, Li M-M, Yu H, Vitos L, Yang R, Hu Q-M: First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TM-yAl alloys. MATER DESIGN 110: 80-89 (2016) DOI

Book chapter

33. Tian F, Wang Y, Irving DL, Vitos L: Applications of coherent potential approximation to HEAs. In: High-Entropy Alloys: Fundamentals and Applications (Eds.: Gao M C, Yeh J -W, Liaw P K, Zhang Y, Springer International Publishing, 2016) pp. 299-332.

See also S-G.2, S-P.10, S-T.(Sinkovicz)