Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1-xKx)(Zn1-yMny)2P2

doi:10.1088/1674-1056/27/6/067103

Abstract

By using first-principles electronic structure calculations, we have studied the magnetic interactions in a proposed BaZn₂P₂-based diluted magnetic semiconductor (DMS). For a typical compound Ba(Zn_0.944Mn_0.056)₂P₂ with only spin doping, due to the superexchange interaction between Mn atoms and the lack of itinerant carriers, the short-range antiferromagnetic coupling dominates. Partially substituting K atoms for Ba atoms, which introduces itinerant hole carriers into the p orbitals of P atoms so as to link distant Mn moments with the spin-polarized hole carriers via the p-d hybridization between P and Mn atoms, is very crucial for the appearance of ferromagnetism in the compound. Furthermore, applying hydrostatic pressure first enhances and then decreases the ferromagnetic coupling in (Ba_0.75K_0.25)(Zn_0.944Mn_0.056)₂P₂ at a turning point around 15 GPa, which results from the combined effects of the pressure-induced variations of electron delocalization and p-d hybridization. Compared with the BaZn₂As₂-based DMS, the substitution of P for As can modulate the magnetic coupling effectively. Both the results for BaZn₂P₂-based and BaZn₂As₂-based DMSs demonstrate that the robust antiferromagnetic (AFM) coupling between the nearest Mn-Mn pairs bridged by anions is harmful to improving the performance of these Ⅱ-Ⅱ-V based DMS materials.

Keywords: magnetic semiconductor p-d hybridization magnetic coupling first-principles calculations

Received: 08 March 2018
Revised: 30 March 2018
Accepted manuscript online:

PACS:	71.20.-b	(Electron density of states and band structure of crystalline solids)
	75.50.-y	(Studies of specific magnetic materials)

Fund:

Project supported by the National Key Research and Development Program of China (Grant No.2017YFA0302903),the National Natural Science Foundation of China (Grant Nos.11774422 and 11774424),the Fundamental Research Funds for the Central Universities,and the Research Funds of Renmin University of China (Grant Nos.14XNLQ03 and 16XNLQ01).

Corresponding Authors: Kai Liu, Zhong-Yi Lu
E-mail: kliu@ruc.edu.cn;zlu@ruc.edu.cn

Cite this article:

Huan-Cheng Yang(杨焕成), Kai Liu(刘凯), Zhong-Yi Lu(卢仲毅) Magnetic interactions in a proposed diluted magnetic semiconductor (Ba_1-xK_x)(Zn_1-yMn_y)₂P₂ 2018 Chin. Phys. B 27 067103

[1]	Ohno H 1998 Science 281 951
[2]	Wolf S A, Awschalom D D, Buhrman R A, Daughton J M, von Molnár S, Roukes M L, Chtchelkanova A Y and Treger D M 2001 Science 294 1488
[3]	Ohno H, Chiba D, Matsukura F, Omiya T, Abe E, Dietl T, Ohno Y and Ohtani K 2000 Nature 408 944
[4]	Dietl T 2010 Nat. Mater. 9 965
[5]	Žutić I, Fabian J and Das Sarma S 2004 Rev. Mod. Phys. 76 323
[6]	Zhao J H 2016 Chin. Sci. Bull. 61 1401
[7]	Pan D, Wang S L, Wang H L, Yu X Z, Wang X L and Zhao J H 2014 Chin. Phys. Lett. 31 078103
[8]	Sharma P, Gupta A, Rao K V, Owens F J, Sharma R, Ahuja R, Osorio Guillen J M, Johansson B and Gehring G A, 2003 Nat. Mater. 2 673
[9]	Saito H, Zayets V, Yamagata S and Ando K 2003 Phys. Rev. Lett. 90 207202
[10]	Ohno H, Shen A, Matsukura F, Oiwa A, Endo A, Katsumoto S and Iye Y 1996 Appl. Phys. Lett. 69 363
[11]	Overberg M E, Gila B P, Abernathy C R, Pearton S J, Theodoropoulou N A, McCarthy K T, Arnason S B and Hebard A F 2001 Appl. Phys. Lett. 79 3128
[12]	Soo Y L, Huang S W, Ming Z H, Kao Y H, Munekata H and Chang L L 1996 Phys. Rev. B 53 4905
[13]	Chen L, Yang X, Yang F H, Zhao J H, Misuraca J, Xiong P and von Molnár S 2011 Nano. Lett. 11 2584
[14]	Furdyna J K 1988 J. Appl. Phys. 64 R29
[15]	Kudrnovský J, Turek I, Drchal V, Máca F, Weinberger P and Bruno P 2004 Phys. Rev. B 69 115208
[16]	Dietl T, Haury A and Merle d'Aubigné Y 1997 Phys. Rev. B 55 R3347
[17]	Jungwirth T, Sinova J, Mašek J, Kučera J and MacDonald A H 2006 Rev. Mod. Phys. 78 809
[18]	Sato K, Bergqvist L, Kudrnovský J, Dederichs P H, Eriksson O, Turek I, Sanyal B, Bouzerar G, Katayama-Yoshida H, Dinh V A, Fukushima T, Kizaki H and Zeller R 2010 Rev. Mod. Phys. 82 1633
[19]	Baron T, Tatarenko S, Saminadayar K, Magnea N and Fontenille J 1994 Appl. Phys. Lett. 65 1284
[20]	Haury A, Wasiela A, Arnoult A, Cibert J, Tatarenko S, Dietl T and Merle d'Aubigné Y 1997 Phys. Rev. Lett. 79 511
[21]	Ferrand D, Cibert J, Wasiela A, Bourgognon C, Tatarenko S, Fishman G, Andrearczyk T, Jaroszyński J, Koleśnik S, Dietl T, Barbara B and Dufeu D 2001 Phys. Rev. B 63 085201
[22]	Matsukura F, Ohno H and Dietl T 2002 Handbook of Magnetic Materials, Vol.~14 pp.~1-87
[23]	Deng Z, Jin C Q, Liu Q Q, Wang X C, Zhu J L, Feng S M, Chen L C, Yu R C, Arguello C, Goko T, Ning F L, Zhang J S, Wang Y Y, Aczel A A, Munsie T, Williams T J, Luke G M, Kakeshita T, Uchida S, Higemoto W, Ito T U, Gu B, Maekawa S, Morris G D and Uemura Y J 2011 Nat. Commun. 2 422
[24]	Zhao K, Deng Z, Wang X C, Han W, Zhu J L, Li X, Liu Q Q, Yu R C, Goko T, Frandsen B, Liu L, Ning F, Uemura Y J, Dabkowska H, Luke G M, Luetkens H, Morenzoni E, Dunsiger S R, Senyshyn A, Böni P and Jin C Q 2013 Nat. Commun. 4 1442
[25]	Ding C, Man H Y, Qin C, Lu J C, Sun Y L, Wang Q, Yu B Q, Feng C M, Goko T, Arguello C J, Liu L, Frandsen B A, Uemura Y J, Wang H D, Luetkens H, Morenzoni E, Han W, Jin C Q, Munsie T, Williams T J, D'Ortenzio R M, Medina T, Luke G M, Imai T and Ning F L 2013 Phys. Rev. B 88 041102(R)
[26]	Wang X C, Liu Q Q, Lv Y X, Gao W B, Yang L X, Yu R C, Li F Y and Jin C Q 2008 Solid State Commun. 148 538
[27]	Rotter M, Tegel M and Johrendt D 2008 Phys. Rev. Lett. 101 107006
[28]	Kamihara Y, Watanabe T, Hirano M and Hosono H 2008 J. Am. Chem. Soc. 130 3296
[29]	Zhao K, Chen B, Zhao G Q, Li X, Yuan Z, Deng Z, Liu Q Q and Jin C Q 2014 Chin. Sci. Bull. 59 2524
[30]	Glasbrenner J K, Žutić I and Mazin I I 2014 Phys. Rev. B 90 140403(R)
[31]	Tao H L, Lin L, Zhang Z H, He M and Song B 2015 Comput. Mater. Sci. 98 93
[32]	Yang J T, Luo S J and Xiong Y C 2015 Solid State Sci. 46 102
[33]	Suzuki H, Zhao K, Shibata G, Takahashi Y, Sakamoto S, Yoshimatsu K, Chen B J, Kumigashira H, Chang F H, Lin H J, Huang D J, Chen C T, Gu B, Maekawa S, Uemura Y J, Jin C Q and Fujimori A 2015 Phys. Rev. B 91 140401(R)
[34]	Blöchl P E 1994 Phys. Rev. B 50 17953
[35]	Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[36]	Kresse G and Hafner J 1993 Phys. Rev. B 47 558
[37]	Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
[38]	Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[39]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[40]	Dudarev S L, Botton G A, Savrasov S Y, Humphreys C J and Sutton A P 1998 Phys. Rev. B 57 1505
[41]	Tao H L, Zhang Z H, Pan L L, He M and Song B 2014 Solid State Commun. 177 113
[42]	Mašek J, Kudrnovský J, Máca F, Gallagher B L, Campion R P, Gregory D H and Jungwirth T 2007 Phys. Rev. Lett. 98 067202
[43]	Hellmann A, Löhken A, Wurth A and Mewis A 2007 Z. Naturforsch. B 62 155
[44]	Xiao Z, Hiramatsu H, Ueda S, Toda Y, Ran F Y, Guo J, Lei H, Matsuishi S, Hosono H and Kamiya T 2014 J. Am. Chem. Soc. 136 14959
[45]	Klüfers P and Mewis A 1978 Z. Naturforsch. B 33 151
[46]	Shein I R and Ivanovskii A L 2014 J. Alloys Compd. 583 100
[47]	Anderson P W 1950 Phys. Rev. 79 350
[48]	Zener C 1951 Phys. Rev. 81 440
[49]	Sato K, Schweika W, Dederichs P H and KatayamaYoshida H 2004 Phys. Rev. B 70 201202
[50]	Sun F, Li N N, Chen B J, Jia Y T, Zhang L J, Li W M, Zhao G Q, Xing L Y, Fabbris G, Wang Y G, Deng Z, Uemura Y J, Mao H K, Haskel D, Yang W G and Jin C Q 2016 Phys. Rev. B 93 224403
[51]	Sun F, Zhao G Q, Escanhoela C A, Jr, Chen B J, Kou R H, Wang Y G, Xiao Y. M, Chow P, Mao H K, Haskel D, Yang W G and Jin C Q 2017 Phys. Rev. B 95 094412

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Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1-xKx)(Zn1-yMny)2P2

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Magnetic interactions in a proposed diluted magnetic semiconductor (Ba_1-xK_x)(Zn_1-yMn_y)₂P₂