Publications

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2016

Articles

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)