Y. Adda and J. Philibert, La diffusion dans les solides, Institut national des sciences et techniques nucléaires, 1966.

B. Alling, T. Marten, and I. A. Abrikosov, Nature Mater, vol.9, p.283, 2010.

B. Alling, T. Marten, and I. A. Abrikosov, Phys. Rev. B, vol.82, p.184430, 2010.

P. D. Anderson and R. Hultgren, Trans. A. I. M. E, vol.224, p.842, 1962.

V. I. Anisimov, Phys. Rev. B, vol.37, p.5598, 1988.

V. P. Antropov, B. N. Harmon, and A. N. Smirnov, J. Magn. Magn. Mater, vol.200, p.148, 1999.

S. Arajs, Phys. Stat. Sol, vol.11, p.121, 1965.

N. W. Ashcroft and D. Mermin, Solid State Physics, 1976.

A. Bakaev, J. Nucl. Mater, vol.444, p.237, 2014.

C. Barouh, Phys. Rev. B, vol.90, p.54112, 2014.

W. Bendick and W. Pepperhoff, Acta Metall, vol.30, p.679, 1982.

L. Bergqvist and A. Bergman, , p.13802, 2018.

H. Bhatkar, J. Magn. Magn. Mater, vol.423, p.46, 2017.

S. Bigdeli and M. Selleby, Calphad, vol.64, p.185, 2019.

K. E. Bloechl, Phys. Rev. B, vol.50, p.17953, 1994.

S. Blügel, Phys. Rev. B, vol.35, p.3271, 1987.

R. J. Borg, C. E. Birchenall, and . In, Trans. A. I. M. E, vol.218, p.980, 1960.

R. J. Borg and D. Y. Lai, Acta Metall, vol.11, p.861, 1963.

M. Born and R. Oppenheimer, Adv. Phys, vol.389, p.457, 1927.

F. S. Buffington, K. Hirano, and M. Cohen, Acta Metall, vol.9, p.434, 1961.

J. B. Chapman, P. -. Ma, and S. L. Dudarev, Phys. Rev. B, vol.99, p.184413, 2019.

C. T. Chen, Phys. Rev. Lett, vol.75, p.152, 1995.

Q. Chen and B. Sundman, J. Phase Equilibria, vol.22, p.631, 2001.

Y. Chen, Phys. Rev. B, vol.31, p.6775, 1985.

H. R. Child and J. W. Cable, Phys. Rev. B, vol.13, p.133, 1976.

C. P. Chui and Y. Zhou, AIP Advances, vol.4, p.87123, 2014.

M. F. Collins and G. G. Low, Proc. Phys. Soc, vol.86, p.535, 1965.

J. M. Cowley, Phys. Rev, vol.77, p.669, 1950.

L. D. Schepper, Phys. Rev. B, vol.27, p.5257, 1983.

W. A. Dench and O. Kubaschewski, J. Iron Steel Inst, vol.201, p.140, 1963.

H. Ding, V. I. Razumovskiy, and M. Asta, Acta Mater, vol.70, p.130, 2014.

C. Domain and C. Becquart, Phys. Rev. B, vol.65, p.24103, 2002.

C. Domain and C. Becquart, Phys. Rev. B, vol.71, 2005.

M. Doyama, Trans. Jpn. Inst. Met, vol.25, p.808, 1986.

A. Einstein, Adv. Phys, vol.17, p.549, 1905.

A. Einstein, Adv. Phys, vol.19, p.371, 1906.

O. Eriksson, Phys. Rev. B, vol.45, p.2868, 1992.

S. Frota-pessoa, R. B. Muniz, and J. Kudrnovsky, Phys. Rev. B, vol.62, p.5293, 2000.

C. Fu, F. Willaime, and P. Ordejon, Phys. Rev. Lett, vol.92, p.175503, 2004.

C. C. Fu, Phys. Rev. B, vol.91, p.94430, 2015.

B. Fultz, Progress in Mat. Sci, vol.55, p.247, 2010.

I. Galanakis, Phys. Rev. B, vol.71, p.12413, 2004.

D. Gambino and B. Alling, Phys. Rev. B, vol.98, p.64105, 2018.

J. Geise and C. Herzig, Z. Metallkde, vol.78, p.291, 1987.

P. Giannozzi, J. Phase Equilibria, vol.21, p.395502, 2009.

P. Giannozzi, J. Phase Equilibria, vol.29, p.465901, 2017.

L. Girifalco, J. Phys. Chem. Solids, vol.23, p.1171, 1962.

L. Girifalco, Diffusion, 1960.

L. A. Girifalco, In: Mater. Sci. Engin, vol.9, p.61, 1972.

B. Gomez-ferrer, Resistivity Recovery in Fe and Fe-Cr alloys, 2016.

O. I. Gorbatov, J. Nucl. Mater, vol.475, p.140, 2016.

S. Gosh, Eur. Phys. J. B, vol.23, p.455, 2001.

D. Graham and D. H. Tomlin, Philos. Mag, vol.8, p.1581, 1963.

O. Grotheer, C. Ederer, and M. Faehnle, Phys. Rev. B, vol.63, p.100401, 2001.

J. Hafner and D. Hobbs, Phys. Rev. B, vol.68, p.14408, 2003.

R. Hafner, Phys. Rev. B, vol.65, p.184432, 2002.

S. V. Halilov, Europhys. Lett, vol.39, p.91, 1997.

P. Hanggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys, vol.62, p.251, 1990.

R. D. Hatcher, R. Zeller, and P. H. Dederichs, Phys. Rev. B, vol.19, p.5083, 1979.

H. C. Herper, E. Hoffmann, and P. Entel, Phys. Rev. B, vol.60, p.3839, 1999.

G. Hettich, H. Mehrer, and K. Maier, Scr. Metall, vol.11, p.795, 1977.

M. Hillert and M. Waldenstrom, In: Scand. J. Metall, vol.6, p.211, 1977.

D. Hobbs, J. Hafner, and D. Spisak, Phys. Rev. B, vol.68, p.14407, 2003.

P. Hohenberg and W. Kohn, Phys. Rev, vol.136, p.864, 1964.

S. Huang, Acta Mater, vol.58, p.1982, 2010.

Y. Iijima, K. Kimura, and K. Hirano, Acta Metall, vol.36, p.2811, 1988.

Y. Iijima, Mater. Trans. Jpn. Inst. Metals, vol.34, p.20, 1993.

V. Jaccarino, L. R. Walker, and G. K. Wertheim, Phys. Rev. Lett, vol.14, p.89, 1965.

D. W. James and G. M. Leak, Philos. Mag, vol.14, p.701, 1966.

D. E. Jiang and E. A. Carter, Phys. Rev. B, vol.67, p.214103, 2003.

F. Kajzar and G. Parette, Phys. Rev. B, vol.22, p.5471, 1980.

S. G. Kang, J. Phys. Soc. Jpn, vol.36, p.975, 1974.

F. Keffer, Handbuch der Physik, vol.18

D. M. King, Phys. Rev. B, vol.98, p.24418, 2018.

J. S. Kirkaldy, P. N. Smith, and R. C. Sharma, Met. Trans, vol.4, p.624, 1973.

T. P. Klaver, R. Drautz, and M. W. Finnis, Phys. Rev. B, vol.74, p.94435, 2006.

P. Klugkist and C. Herzig, Phys. Stat. Sol, vol.148, p.413, 1995.

F. Koermann, Phys. Rev. B, vol.83, p.165114, 2011.

W. Kohn and L. J. Sham, Phys. Rev, vol.140, p.1133, 1965.

G. Kresse and J. Furthmueller, Commun. Math. Phys, vol.6, p.15, 1996.

G. Kresse and J. Furthmueller, Phys. Rev. B, vol.54, p.11169, 1996.

G. Kresse and J. Hafner, Phys. Rev. B, vol.47, p.558, 1993.

G. Kresse and J. Joubert, Phys. Rev. B, vol.59, p.1758, 1999.

J. Kucera, Acta Metall, vol.22, p.135, 1974.

N. I. Kulikov and C. Demangeat, Phys. Rev. B, vol.55, p.3533, 1997.

D. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, 2005.

M. Y. Lavrentiev, D. Nguyen-manh, and S. L. Dudarev, Phys. Rev. B, vol.81, p.184202, 2010.

M. Y. Lavrentiev, Phys. Rev. B, vol.84, p.144203, 2011.

M. Y. Lavrentiev, Physical Chemistry Chemical Physics, vol.16, p.16049, 2014.

M. Y. Lavrentiev, J. Appl. Phys, vol.120, p.43902, 2016.

V. A. Lazarev and V. M. Golikov, In: Fiz. Metal. Metalloved, vol.29, p.598, 1970.

A. D. Leclaire, Physical Chemistry: An advance treatise, p.10, 1970.

M. Levesque, Phys. Rev. B, vol.84, p.184205, 2011.

C. Li, F. Sommer, and E. J. Mittemeijer, In: Mater. Sci. Engin, vol.325, p.307, 2002.

A. J. Liechtenstein, J. Magn. Magn. Mater, vol.67, p.65, 1987.

S. Lintzen, J. Alloys. Comp, vol.577, p.370, 2013.

P. Liu, Phys. Rev. B, vol.90, p.24103, 2014.

G. Lucas and R. Schaüblin, Nucl. Instrum. Meth. B, vol.267, p.3009, 2009.

M. Luebbehusen, Diploma work, 1984.

M. Luebbehusen and H. Mehrer, Acta Metall. Mater, vol.36, p.2811, 1988.

P. Ma and S. L. Dudarev, Phys. Rev. B, vol.91, p.54420, 2015.

E. Martinez and C. -. Fu, Phys. Rev. B, vol.84, p.14203, 2011.

E. Martinez, Phys. Rev. B, vol.86, p.224109, 2012.

H. Matsui, S. Takehana, and M. W. Guinan, J. Nucl. Mater, p.1284, 1988.

N. I. Medvedeva, D. C. Van-aken, and J. E. Medvedeva, J. Phase Equilibria, vol.23, p.32, 2011.

H. Mehrer, D. Hoepfel, and G. Hettich, Diffusion in Metals and Alloys. Trans. Tech. Publ, vol.82, 1983.

L. Messina, Phys. Rev. B, vol.90, p.104203, 2014.

L. Messina, Phys. Rev. B, vol.93, p.184302, 2016.

M. Methfessel and A. Paxton, Phys. Rev. B, vol.40, p.3616, 1989.

A. A. Mirzoev, M. M. Yalalov, and D. A. Mirzaev, Phys. Met. Metall, vol.101, p.341, 2006.

Y. Mishin, J. Schimmelpfennig, and G. Borchardt, J. Physique, vol.7, p.1797, 1997.

H. and J. Pack, Phys. Rev. B, vol.13, p.5188, 1976.

H. A. Mook, J. W. Lynn, and R. M. Nicklow, Phys. Rev. Lett, vol.30, p.556, 1973.

C. Moran, C. Ederer, and M. Faehnle, Phys. Rev. B, vol.67, p.12407, 2003.

E. G. Moroni, Phys. Rev. B, vol.56, p.15629, 1997.

A. Moslang, Hyperfine Int. 15, p.409, 1983.

G. E. Murch and S. J. Rothman, Philos. Mag. A, vol.43, p.229, 1981.

D. Music, Appl. Phys. Lett, vol.91, p.191904, 2007.

Y. Nakai and N. Kunitomi, J. Phys. Soc. Jpn, vol.39, p.1257, 1975.

J. Neugebauer and T. Hickel, Density Functional Theory in Materials Science, pp.438-448, 2013.

A. S. Nikonenko, In: Fiz. Metal. Metalloved, vol.16, p.776, 1963.

P. Olsson, I. A. Abrikosov, and J. Wallenius, Phys. Rev. B, vol.73, p.104416, 2006.

P. Olsson, C. Domain, and J. Wallenius, Phys. Rev. B, vol.75, p.14110, 2007.

P. Olsson, T. P. Klaver, and C. Domain, Phys. Rev. B, vol.81, p.54102, 2010.

P. Olsson, J. Nucl. Mater, vol.321, p.84, 2003.

C. Paduani, J. Appl. Phys, vol.70, p.7524, 1991.

M. Pajda, Phys. Rev. B, vol.64, p.174402, 2001.

G. Parette, J. Appl. Phys, vol.69, p.6135, 1991.

J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett, vol.77, p.3865, 1999.

V. Pierron-bohnes, P. Cadeville, and F. Gauthier, J. Phys. F: Met. Phys, vol.82, p.184430, 1983.

S. S. Pohlong and P. N. Ram, J. Phase Equilibria, vol.10, p.10901, 1999.

P. Radhakrishna and F. Livet, Solid State Commun, vol.25, p.597, 1978.

S. J. Rothman, J. Appl. Phys, vol.39, p.5041, 1968.

A. V. Ruban and V. I. Razumovskiy, Phys. Rev. B, vol.86, p.174111, 2012.

A. V. Ruban, Phys. Rev. B, vol.75, p.54402, 2007.

M. Rubinstein, G. H. Strauss, and J. Dweck, Phys. Rev. Lett, vol.17, p.41, 1966.

L. Ruch, J. Phys. Chem. Solids, vol.37, p.469, 1976.

C. Sadron, Ann. Phys. Paris, vol.17, p.371, 1932.

G. Salje and M. Feller-knieppmeier, J. Appl. Phys, vol.48, p.1833, 1977.

N. Sandberg, Phys. Rev. B, vol.92, p.184102, 2015.

A. Satta, F. Willaime, and S. De-gironcoli, Phys. Rev. B, vol.57, p.11184, 1998.

A. Satta, F. Willaime, and S. De-gironcoli, Phys. Rev. B, vol.60, p.7001, 1999.

O. Schneeweiss, Phys. Rev. B, vol.96, p.14437, 2017.

E. Schrödinger, Adv. Phys, vol.385, p.437, 1926.

A. Seeger, Phys. Stat. Sol, vol.167, p.289

O. Senninger, Acta Mater, vol.73, p.97, 2014.

V. A. Shabashov, Philos. Mag, p.20, 2017.

S. Shallcross, Phys. Rev. B, vol.73, p.104443, 2006.

D. A. Shirley, S. S. Rosenblum, and E. Mathias, Phys. Rev, vol.170, p.363, 1968.

P. Soederlind, Phys. Rev. B, vol.61, p.2579, 2000.

F. Soisson, A. Barbu, and G. Martin, Acta Mater, vol.44, p.3789, 1996.

F. Soisson and C. -. Fu, Phys. Rev. B, vol.76, p.214102, 2007.

J. M. Soler, J. Phase Equilibria, vol.14, p.2745, 2002.

R. Soulairol, C. Barreteau, and C. Fu, Phys. Rev. B, vol.94, p.24427, 2016.

R. Soulairol, C. -. Fu, and C. Barreteau, Phys. Rev. B, vol.84, p.155402, 2011.

G. R. Speich, J. A. Gula, and R. M. Fisher, The electron Microprobe

D. Spisak and J. Hafner, J. Magn. Magn. Mater, vol.168, p.257, 1997.

M. B. Stearns and S. S. Wilson, Phys. Rev. Lett, vol.13, p.313, 1964.

K. Tapasa, Acta Mater, vol.55, p.1, 2007.

A. Togo and . Tanaka, Scr. Mater, vol.108, p.1, 2015.

M. Van-schilfgaarde and V. P. Antropov, J. Appl. Phys, vol.85, p.4827, 1999.

E. Vincent, C. Becquart, and C. Domain, Nucl. Instrum. Meth. B, vol.228, p.137, 2005.

E. Vincent, C. Becquart, and C. Domain, J. Nucl. Mater, vol.351, p.88, 2006.

G. H. Vineyard, J. Phys. Chem. Solids, vol.3, p.21, 1957.

O. Vollmer, R. Kohlhass, and M. Braun, Z. Naturforschg, vol.21, p.181, 1966.

O. Vollmer, R. Kohlhass, and M. Braun, Z. Naturforschg, vol.21, p.181, 1966.

M. and V. Smoluchowski, Adv. Phys, vol.21, p.756, 1906.

D. C. Wallace, P. H. Sidles, and G. C. Danielson, J. Appl. Phys, vol.31, p.168, 1960.

J. Wallenius, Phys. Rev. B, vol.69, p.94103, 2004.

C. M. Walter and N. L. Peterson, Phys. Rev, vol.178, p.922, 1969.

C. S. Wang, B. M. Klein, and H. Krakauer, Phys. Rev. Lett, vol.54, p.1852, 1985.

B. E. Warren, X-ray diffraction, 1990.

H. Wen, P. W. Ma, and C. Woo, J. Nucl. Mater, vol.440, p.428, 2013.

H. Wen and C. Woo, J. Nucl. Mater, vol.470, p.102, 2016.

G. K. Wertheim, Phys. Rev. Lett, vol.12, p.24, 1964.

V. T. Witusiewicz, F. Sommer, and E. J. Mittemeijer, J. Phase Equil. Diff, vol.25, pp.346-354, 2004.

C. Wolverton, V. Ozolins, and M. Asta, Phys. Rev. B, vol.69, p.1440109, 2004.

K. L. Wong, J. Nucl. Mater, vol.227, p.386, 2009.

C. Woo, Phys. Rev. B, vol.91, p.104306, 2015.

X. Wu, Z. Liu, and T. Luo, J. Appl. Phys, vol.123, p.85109, 2018.

H. Yamauchi, J. Phys. Soc. Jpn, vol.36, p.971, 1974.

Y. You and M. F. Yan, Physica B, vol.417, p.57, 2013.

R. Zeller, J. Phys. F: Met. Phys, vol.17, p.2123, 1987.

A. Zunger, Phys. Rev. Lett, vol.65, p.353, 1990.