Journal of the Korean Physical Society, Vol. 45, No. 2, August 2004, pp.

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Nanoscale Data Storage Device of Metallofullerene Peapods

Ki Ryang Byun, Jeong Won Kang and Ho Jung Hwang
Nano Electronic Future Technology Laboratory, School of Electrical and Electronic Engineering, Chung-Ang University, Seoul 156-756 (Received 25 February 2004) We studied the energetics and the operations of nonvolatile nano-memory elements based on metallofullerene peapods by using classical molecular dynamics simulations. The system proposed in this work was composed of two carbon nanotubes and metallofullerenes. In classical molecular dynamics simulations, the open ends of two (10, 10) carbon nanotubes were face to face with a separation of 8 , and the metallofullerenes shuttled between two carbon nanotubes under alternaA tively applied force elds. When the metallofullerenes were encapsulated in the carbon nanotubes, the electronic properties of the metallofullerene peapods were dierent from those of the carbon nanotubes. Therefore, these changes could be detected by a current ow change; then, the bit classications could be done by using metallofullerene shuttle between two carbon nanotubes under applied force elds. Since the metallofullerenes encapsulated in the carbon nanotubes can hardly escape from the carbon nanotubes without external force elds, the proposed system can operate a non-volatile memory device.
PACS numbers: 61.46.+w, 66.30.Pa, 83.10.Rs Keywords: Nanopeapod memory device, Nano non-volatile memory, Bucky shuttle memory device, Metallofullerene, Molecular dynamics simulation

I. INTRODUCTION

Fullerene-related materials have attracted considerable attention this last decade due to their unique physical and chemical properties [1,2]. Compared to other carbon structures, fullerenes have revealed promising applications in a wide variety of very important technological processes such as in designing electronic devices, superbers, catalytic materials, etc. [3]. Especially, the large empty space inside carbon nanotubes (CNTs) has led to new applications such as storage materials with high capacity and stability [4]. These cavities are large enough to accommodate a wide variety of atomic and molecular species, the presence of which can signicantly inuence the properties of the materials. In particular, a new type of self-assembled hybrid structure called nanopeapods, consisting of fullerene arrays inside single-walled CNTs, have recently been reported [510]. The applications of nanopeapods range from nanometer-sized containers of chemical reactants [8] to data storage [11] and hightemperature superconductors [12]. The encapsulation of fullerenes (such as C60 ) in nanotubes is favorable on energetic grounds and occurs rapidly by exposing nanotubes to sublimed fullerenes. Kwon et al. [11] reported that multi-walled nanotubes called bucky shuttles [13] were
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synthesized from elemental carbon under specic conditions and investigated bucky-shuttle memory devices, which acted as nanometer-sized memory elements, by using molecular dynamics (MD) simulations. Cioslowski and Fleischmann [14] investigated endohedral fullerene (metallofullerene) complexes, including F , Ne, Na+ , Mg2+ and Al3+ . Many metallofullerenes and metallofullerene peapods have been synthesized and investigated by several experimental and theoretical methods, and these recent works have been reviewed in Refs. 15 17. Micro-uidic memory devices were recently demonstrated through the use of an aqueous viscoelastic polymer solution as a working uid [18]. In our previous work [1922], several electrouidic shuttle memory elements were investigated using classical MD simulations, and the proposed systems were bucky-shuttle memory elements (C+ @C640 36 and C+ @C640 ), encapsulated-ion shuttle memory el60 ements (13K+ )@C640 , (3K+ -C60 -2 K+ )@C640 , (5K+ C60 )@C640 , and the metallofullerene shuttle memory element ((K+ @C60 -F @C60 )@C640 ). However, for the above shuttle memory elements, the bit classications are very complicated to dene and to detect by using the connected electrodes because the shuttle media are always inside the same nanocapsule. For the buckyshuttle memory of Kwon et al. [11], the stored data can be measured by using the current pulse in the connecting wires, which current is caused by the motion of charged molecules due to the applied probing voltage. Therefore,
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if the stored data is to be read, the K+ @C60 should be shuttled. For example, when the K+ @C60 settles in the position of bit 1, the K+ @C60 has to moved toward the position of bit 0 during the data reading processes; then bit 1 can be measured. After the data reading, the K+ @C60 should be returned to the position of bit 1 to maintain its original data. Therefore, the data reading processes have to include the data erasing/writing processes; thus, both power consumption and data processing time increase. However, when the K+ @C60 comes and goes between separate nanocapsules, simpler datareading processing can be achieved. Our previous work used MD simulations to show nanotube-to-nanopeapod transitions under external electrostatic force elds [22]. For the nanoscale memory device proposed in this work, the nonvolatility and the data writing/erasing processes are the same as those for the bucky-shuttle device of Kwon et al. However, for the data reading processes, our proposed system is dierent from that of Kwon et al, and this will be discussed in the next section. While aligned bucky-shuttle structures are dicult to achieve in self-assembly, nanopeapods can be synthesized in aligned structures by using bundles of singlewalled CNTs. If some processes, such as nanolithography, carbon nanotube etching or cutting, metallofullerene intercalation control, carbon nanotube capping, and metal llings for electrodes, are applied appropriately to the aligned nanopeapods, aligned bucky-shuttle elements can be synthesized. The electronic properties of CNTs are changed by the intercalation of metallofullerenes into CNTs [23, 24]. Therefore, if metallofullerene intercalation into CNTs can be controlled by using external force elds, the digit composed of bit 0 and bit 1, which is widely used in electronic memory devices, can be considered by using a nanotube (bit 0) and a nanopeapod (bit 1). In this paper, we present schematics of a nano-memory device based on metallofullerene peapods. We expect that a memory element based on nanopeapods can be realized by using nanotechnology based on carbon nanosciences. Therefore, in this paper, using classical MD simulations, we investigate the operations and the properties of a memory element composed of fully ionized metallofullerenes and (10, 10) CNTs.

II. SCHEMATICS Many metallofullerene nanopeapods have been investigated in experimental and theoretical studies. If the encapsulated metallofullerenes are to be moved by an electrostatic force eld, the metallofullerenes should carry a net charge. As the number of carbon atoms composing the fullerenes increase, the electron anity generally increases [25]. The electron anities of the metallofullerenes are generally higher than those of empty fullerenes [26, 27]. Some ab-initio calculations for metallofullerene peapods have shown charge transfer from a

nanotube to a metallofullerene or fullerene [24, 28, 29]. Chen and Lue [30] showed that the electron anities of the CNTs were 1.0 1.5 eV, which were lower than the values 3 eV for the electron anity of fullerenes [25], by using the theoretical ttings based on eld-emission experiments on CNTs. The above results imply that the charge of the encapsulated metallofullerene can be negative due to charge transfer from a nanotube to a metallofullerene. However, contrary results and discussion of the charge transfer have been also found. Cioslowski et al. [31] showed that the electron anities of nanotubes with nite lengths were generally higher than those of empty fullerenes. Kazaoui et al. [32] estimated that the average electron anity of semiconductor single-wall CNTs was 4.8 eV by using in-situ measurements of optical absorption spectra. Hirahara et al. [33] discussed the possibility of charge transfer from the Gd@C82 metallofullerene to a single-wall CNT. These results imply that the charge of the encapsulated metallofullerene can be positive. Therefore, we think that charge transfer of metallofullerene peapods should be investigated in further works. Although there are opposing results for charge transfer, the metallofullerene can have either a negative or a positive net charge. In this work, we follow the assumption by Kwon et al. [11] for the charge of the metallofullerene encapsulated in CNTs. In the K@C60 metallofullerene, which is known to form spontaneously under synthesis conditions in the presence of potassium, the valence electron of the encapsulated potassium atom is completely transferred to the C60 shell; then, K+ @C60 is formed [34,35]. Kwon et al. assumed that the C60 shell was likely to transfer the extra electron to the graphitic outer capsule. The extra electron on the outer capsule would likely be further transferred to the structure that held the bucky-shuttle device. Therefore, Kwon et al. modeled the dynamics of the K@C+ ion in the neutral carbon capsule by uni60 formly distributing a static charge of +1e over the C60 shell. However, in our MD code, the endo metal was not included for computational eciency whereas the mass of the C60 was increased by the mass of the potassium atom and the charge of the C60 shell was assumed to be +1e and was uniformly distributed on the C60 shell, such as in the previous work by Kwon et al. Therefore, the charge per carbon atom was assumed to be +e/60. Figure 1 shows the schematics of the proposed nanopeapod memory elements (if technologies are supportive); (a) alignment of single-walled CNTs, (b) lithography using mask and etching of CNTs, (c) formation of nanopeapods by lling of fully ionized metallofullerenes, (d) formation of nanopeapods for only one side by using external force elds and evaporations and (e), in order that the metallofullerenes cannot escape from the system, reduction of the gaps between both CNTs by using mechanical controls. For the processes from (c) to (d), our previous work showed that the structure shown in Fig. 1(d) could be realized when the external force elds were adequately applied. The structure consisted of one-

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Fig. 1. Process schematics of proposed nanopeapod memory: (a) aligning of single-walled CNTs, (b) lithography using mask and etching of CNTs, (c) formation of nanopeapods by lling of fully ionized metallofullerenes, (d) formation of nanopeapods for only one side using external force elds and evaporations, and (e) in order that the metallofullerenes can not escape from the system, reduction of the gaps between both CNTs by mechanical controls.

Fig. 2. Under external force elds due to the switching electrodes, since metallofullerenes with net charge can be accelerated, the metallofullerenes can be shuttled by using the alternate external force elds. The electronic properties of the nanopeapods are very dierent from those of the empty CNTs. Therefore, changes in the electronic properties can dene or classify of bits in the change of the current conduction (Id ) under the applied bias (VA ) by using the bit detection circuit.

side-capped two (10, 10) CNTs including six C+ s. The 60 open ends of the two (10, 10) CNTs were face to face with a separation of 16 on the same tube axis. The A external force elds were applied along the direction of the tube axis, 0.54 eV/, as well as perpendicular to A the tube axis, 0.6 eV/. Three C+ s were encapsulated A 60 in a one-side CNT whereas the other C+ s escaped the 60 other CNT and was not encapsulated in any CNT. In order that the three C+ s cannot escape from the system, 60 the gap between both CNTs should be reduced by using mechanical controls. In this work, the reduced gap of 8 was used. A The electronic properties of nanopeapods are very different from those of empty CNTs [23,24,26,28,33]. Under external force elds, since metallofullerenes with a net charge can be accelerated, the metallofullerenes can be shuttled by the alternate external force elds. Therefore, the changes in the electronic properties can be used to dene or classify bits in the change in the current conduction. For example, for the K@C60 metallofullerenes considered in this work, when the K@C+ s come and 60 go between separate nanotubes, a nanoscale memory device as shown in Fig. 2 is possible. When the K@C60 is encapsulated in a (17, 0) single-wall CNT, the doping energy level of the K@C60 @(17, 0) peapod is about 0.3 eV lower than the conduction band energy lever of the (17, 0) CNT, and when it is encapsulated in a (16, 0) single-wall CNT, the K@C60 @(16, 0) peapod is an ntype semiconductor [26]. Although we dont present the

electronic properties of the system in Figs. 1 and 2, we think that the recent results for metallofullerene peapods by Du and Cheng [26] show that the electronic properties of empty carbon nanotubes are dierent from those of carbon nanotubes lled with K@C60 . Since the innite nanotube structure investigated by Du and Cheng is dierent from the nite nanotube structure considered in this work, the electronic properties of the carbon nanotube with both a one-side spherical cap and an open end in our simulation must be dierent from those of an innite carbon nanotube. However, the electronic properties and the current tunneling of a nite nanotube encapsulating metallofullerenes can be clearly understood to be dierent from those of an empty nite nanotube. The nonvolatility and the data writing/erasing processes are the same as those for the bucky-shuttle device of Kwon et al. [11] whereas, the system shown in Figs. 1 and 2 is dierent from that of Kwon et al. for the data reading processes. For the bucky-shuttle memory suggested by Kown et al., the reading processes can be measured by using the current pulse in the connecting wires, the current pulse being caused by the motion of the K@C+ due to the applied probing voltage. 60 Therefore, the data-reading processes have to include the data erasing/writing processes, the K@C+ shuttles in a 60 nanocapsule. However, in our proposed element, when the K@C+ s come and go between separate nanocap60 sules, as shown in Fig. 2, electrodes to detect the stored data are connected to the left-hand carbon nanotube. The right-hand CNTs are connected to ground, and the left-hand CNTs are connected to the bit writing or erasing lines and the bit reading lines. For bit writing, when forward force elds are applied, the K@C+ s transfer 60 from the left- to the right-hand CNTs; then, the bits can

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be read through the bit detection circuit. For bit erasing, when backward force elds are applied, the K@C+ s 60 transfer from the right to the left CNTs; then, the bits can be read through the bit detection circuit. When an applied bias (VA ) is applied to the data-reading gate, the current ow (Id ) of the empty nanotube is dierent from the current ow (Id ) of the peapod [26,29]. Therefore, semiconducting nanotubes are more eective than metallic nanotubes for application to the proposed memory device.

III. SIMULATION METHODS For carbon-carbon interactions, we used the TersoBrenner potential function [3739] that has been widely applied to carbon systems. The long-range interactions were characterized with the Lennard-Jones 12-6 potential [40]. Detailed descriptions of the empirical potentials used in this work can be found in our previous papers [1922]. We used both steepest descent (SD) and MD methods. The MD simulations used the same MD methods as were used in our previous works [4145]. The MD code used the velocity Verlet algorithm and neighbor lists to improve computing performance [46]. The MD time step was 5 104 ps. Initial velocities were assigned from the Maxwell distribution, and the magnitudes were adjusted so as to maintain the temperature in the system. A Gunsteren-Berendsen thermostat was used to control the temperature for all atoms, except for the fullerenes [46]. In this work, the structure of an element consisted of two one-side-capped (10, 10) CNTs with spherical caps and one or three C60 s. The open ends of the two (10, 10) CNTs were face to face with an initial separation of 8 ; then, the structures were relaxed by using the A SD method. We assumed that the CNTs interacted with the substrate and that the materials used as the mask still covered the CNTs. Therefore, the atoms of the central carbon-ring along the tube axis were xed during the MD simulations, and the MD methods were applied to the other atoms to avoid shifts of the CNTs due to the collisions between the fullerenes and the caps of the CNTs. For the MD simulations in this work, we used metallic (10, 10) nanotubes because the schematics and the energetic operations of the proposed system were focused on this work and because (10, 10) nanotube could easily be connected with spherical caps. However, if the proposed memory element is to be realized, semiconducting nanotubes, such as a (17, 0) CNTs, should be used. The binding energy of a C60 @(17, 0) peapod is similar to that of a C60 @(10, 10) peapod [36].

Fig. 3. (a) Position as a function of the MD time for various temperatures and (b) the initial and the nal structures sucked into the CNTs.

IV. MD SIMULATION RESULTS AND DISCUSSION

Figure 3(a) shows the position variations of a C60 fullerene as a function of the MD time for various temperatures. The fullerene was initially located at the middle position between both CNTs. Since the initial velocities and displacements of the atoms were randomly allocated using a Gaussian random number generator, the fullerene could be sucked in any CNTs under the given conditions. Figure 3(b) shows the initial and the nal structures. Figure 4 shows the energy as a function of the position of the fullerene for the system shown in Fig. 3(b). After the system had been fully relaxed under the xed C60 fullerene, the positions of the C60 fullerene were displaced by an increase or a decrease of 0.1 ; then, the congurations were relaxed by using the A SD method. The potential energy where the fullerene is sucked into a (10, 10) CNT is 3.543 eV lower than the potential energy where the fullerene is settled between both CNTs. This value is slightly higher than the value, 3.01 eV, obtained from the work by Ulbricht et al. [47] and the value, 3.26 eV, obtained from the work by Girifalco et al. [48]. The potential well depth used in this work was slightly higher than those used by Ulbricht et al. [47] and Girifalco et al. [48]. The binding energy of a C60 fullerene at a spherical cap of a (10, 10) CNT obtained from Girifalco et al. [48] was 4.40 eV; then, the energy to escape from the spherical cap was 1.14 eV. In this work, these values were 5.004 and 1.461 eV, respectively. Also, the activation energy of the C60 fullerene encapsulated in the (10, 10) CNT was zero in this work as in the previous works [47,49]. Berber et al. [49] also showed that the encapsulation process did not involve an activation energy barrier by using tight-binding MD simulations. Qian et al. [50] showed that C60 was sucked

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Fig. 4. Energy as a function of the position of the fullerene for the system shown in Fig. 3(b).

Fig. 6. Central position of three C+ s as a function of the 60 MD time for various temperatures. The solid line, the lled circles, and the diamonds indicate applied force elds of 0.6 eV/ per C+ at 10 K, 0.06 eV/ per C+ at 300 K, and 0.06 A A 60 60 eV/ per C+ at 10 K, respectively. A 60

Fig. 5. Atomic structures in the MD simulation at 10 K when a force eld of 0.6 eV/ per C+ was applied to the A 60 structure of the left nanopeapod encapsulating three C+ s: 60 atomic congurations at (a) 0, (b) 5, and (c) 50 ps.

into the (10, 10) CNT due to the sharp surface-tension force present at the front of the open end and then oscillated between the two open ends of the CNT, never escaping. The above results show that for the operation of the proposed memory device, an external force eld under the condition in order that a C60 escapes from a (10, 10) CNT should be applied to the C60 . When any external force eld is not applied, the C60 fullerene always settles the both end caps of the CNTs where the contact areas are large and the binding energies are high, as shown in Figs. 3 and 4. Since it is very dicult for the fullerene to naturally escape from the (10, 10) CNT, the proposed element can be applied to a non-volatile memory device on a nanometer scale. Figure 5(a) shows the left-side nanopeapod encapsu-

lating three C+ s. The structure was the same as that 60 shown in Fig. 3, except that the open ends of the two (10, 10) CNTs are face to face with a separation of 8 in the same tube axis and that the right CNT is just A vacant. Thus structure is the structure after the process from Fig. 1(d) to Fig. 1(e). We performed the MD simulation at 10 K for an applied force eld of 0.6 eV/ per A C+ . Figures 5(b) and 4(c) show the structures at 5 and 60 at 50 ps, respectively. We found that the transitions of C+ s from the left- to the right-hand CNTs, and changes 60 of metallofullerene positions were achieved by using the external force elds. Figure 6 shows the central position of the three C+ s as a function of the MD time for vari60 ous temperatures. When the applied force eld was 0.6 eV/ per C+ at 10 K, all C+ s escaped from the origA 60 60 inal CNT; then, they were sucked into the other CNT. When the applied force eld was 0.06 eV/ per C+ at A 60 10 K, no C+ could escape from the original CNT. When 60 the applied force eld was 0.06 eV/ per C+ at 300 K, A 60 two C+ s escaped from the original CNT and were then 60 just sucked into the other CNT whereas one C+ could 60 not escape from the cap of the CNT. In the MD simulations at 10 K, when the applied force elds were above 0.54 eV/ per C+ , all C+ s escaped from the original A 60 60 CNT and were then sucked into the other CNT. When the applied force elds were 0.24 to 0.50 eV/ per C+ , A 60 only one or two C+ s escaped from the original CNT and 60 were then sucked into the other CNT. In the MD simulations at 300 K, when the applied force elds were above 0.36 eV/ per C+ , all C+ s escaped from the original A 60 60 CNT and were then sucked into the other CNT. When

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the applied force elds were 0.06 to 0.3 eV/A per C+ , 60 only one or two C+ s escaped from the original CNT and 60 then were sucked into the other CNT. As Fig. 4 shows, since the binding energy of a C60 fullerene in a (10, 10) CNT is highest at either end cap of CNTs, the external force elds should be applied so that the C60 fullerene can escape from the caps of CNTs. For the fullerenes, except for the fullerene captured at the cap, since the binding energy is constant inside CNTs as shown in Fig. 4, the fullerenes are easily accelerated. Therefore, the accelerated fullerenes can escape from the CNT easier than the fullerene captured at the cap. Our MD simulations showed that the fullerene shuttle-memory elements based on carbon nanopeapods could be operated by using adequate external force elds. When several technologies are supportive, we expect that the proposed systems will be realized and be used as an active device.

erating metallofullerenes should be considered in future works. The authors expect the proposed system to be realized.

ACKNOWLEDGMENTS This work was supported by the Research Professor Grant of the Information Telecommunication Research Institute (ITRI), Chung-Ang University.

REFERENCES
[1] M. S. Dresselhaus, G. Dresselhaus and P. C. Eklund, Science of Fullerenes and Carbon Nanotubes (Academic Prss, San Diego, 1996). [2] L. Dai, P. He and S. Li, Nanotechnology 14, 1081 (2003). [3] J. Zhao, A. Buldum, J. Han and J. P. Lu, Nanotechnology 13, 195 (2002). [4] R. E. Barajas-Barraza and R. A. Guirado-Lopez, Phys. Rev. B 66, 155426 (2002). [5] B. W. Smith, M. Monthioux and D. E. Luzzi, Nature (London) 396, 323 (1998). [6] B. Burteaux, A. Claye, B. W. Smith, M. Monthioux, D. E. Luzzi and J. E. Fischer, Chem. Phys. Lett. 310, 21 (1999). [7] B. W. Smith, M. Monthioux and D. E. Luzzi, Chem. Phys. Lett. 315, 31 (1999). [8] B. W. Smith and D. E. Luzzi, Chem. Phys. Lett. 321, 169 (2000). [9] K. Hirahara, K. Suenaga, S. Bandow, H. Kato, T. Okazaki, H. Shinohara and S. Iijima, Phys. Rev. Lett. 85, 5384 (2000). [10] J. Sloan, R. E. Dunin-Borkowski, J. L. Hutchison, K. S. Coleman, V. C. Williams, J. B. Claridge, A. P. E. Yorka, C. Xu, S. R. Bailey, G. Brown, S. Friedrichs and M. L. H. Green, Chem. Phys. Lett. 316, 191 (2000). [11] Y. K. Kwon, D. Tomnek and S. Iijima, Phys. Rev. Lett. a 82, 1470 (1999). [12] R. F. Service, Science 292, 45 (2001). [13] B. I. Yakobson and R. E. Smalley, Am. Sci. 85, 324 (1997). [14] J. Cioslowski and E. D. Fleischmann, J. Chem. Phys. 94, 3730 (1991). [15] J. Sloan, S. Friedrichs, R. R. Meyer, A. I. Kirkland, J. L. Hutchison and M. L. H. Green, Inorganica Chimica Acta 330, 1 (2002). [16] M. Monthioux, Carbon 40, 1809 (2002). [17] D. Qian, G. J. Wagner, W. K. Liu, M.-F. Yu and R. S. Ruo, Appl. Mech. Rev. 55, 495 (2002). [18] A. Groisman, M. Enzelberger and S. R. Quake, Science 300, 955 (2003). [19] J. W. Kang and H. J. Hwang, Phyica E 23, 134 (2004). [20] J. W. Kang and H. J. Hwang, J. Korean Phys. Soc. 44, 879 (2004). [21] J. W. Kang and H. J. Hwang, J. Phys. Soc. Jpn. 73, 1077 (2004). [22] J. W. Kang and H. J. Hwang, Jpn. J. Appl. Phys. 43, 4447 (2004).

V. SUMMARY AND FUTURE WORK This work showed the schematics, the energetics, and the operations of a nonvolatile nano-memory element. The system proposed in this paper was composed of one-side-capped (10, 10) carbon nanotubes and metallofullerenes. The open ends of two (10, 10) carbon nanotubes were face to face with the separation of 8 disA tance, and the metallofullerenes shuttled between two carbon nanotubes under alternately applied force elds. Our idea was as follows: when the metallofullerenes are encapsulated in the carbon nanotubes, the electronic properties of the carbon nanotubes are changed. When these changes can be controlled by using external force elds, then bit classications can be achieved. Since it is well known that fullerenes encapsulated in carbon nanotubes can hardly escape from carbon nanotubes without external force elds, the proposed system can operate as a non-volatile memory device. Since the interactions between the fullerene and the cap of carbon nanotube stabilized the shuttle fullerene at both ends of the proposed system where the contact area was largest, the external force elds should be applied so that the fullerene can escape from the caps of the carbon nanotubes. Therefore, if the proposed system is to be operated, metallofullerenes with a net charge should be involved. The switching processes were investigated for external force elds and temperatures. Classical molecular dynamics simulations showed that a metallofullerene shuttlememory element based on carbon peapods could be operated by using an adequate external force eld. The proposed system can also be applied to a nano-electromechanical system as a non-volatile memory device. This work shows the possibility of a shuttle memory element based on metallofullerene peapods in the nanometer range. For the proposed system to eectively operate, the switching speed, the applied force eld, the active region, the length of the CNTs, and the number of op-

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Journal of the Korean Physical Society, Vol. 45, No. 2, August 2004 A. Goddard, Phys. Rev. B 48, 13959 (1993); Y. Guo, N. Karsawa and W. A. Goddard, Nature (London) 351, 464 (1991). M. Otani, S. Okada and A. Oshiyama, Phys. Rev. B 68, 125424 (2003). J. Terso, Phys. Rev. B 38, 9902 (1988). J. Terso, Phys. Rev. B 39, 5566 (1989). D. W. Brenner, Phys. Rev. B 42, 9458 (1990). Z. Mao, A. Garg and S. B. Sinnott, Nanotechnology 10, 273 (1999). J. W. Kang and H. J. Hwang, Nanotechnology 13, 524 (2002). J. W. Kang and H. J. Hwang, Nanotechnology 13, 503 (2002). J. W. Kang and H. J. Hwang, Comp. Mater. Sci. 23, 105 (2002). J. W. Kang and H. J. Hwang, J. Korean Phys. Soc. 43, 1139 (2003). J. W. Kang and H. J. Hwang, J. Korean Phys. Soc. 40, 946 (2002). M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford, Clarendon, 1987). H. Ulbricht, G. Moos and T. Hertel, Phys. Rev. Lett. 90, 095501 (2003). L. A. Girifalco, M. Hodak and R. L. Lee, Phys. Rev. B 62, 13104 (2000). S. Berber, Y.-K. Kwon and D. Tomnek, Phys. Rev. a Lett. 88, 185502 (2002). D. Qian, W. K. Liu and R. S. Ruo, J. Phys. Chem. B 105, 10753 (2001).

[23] J. Lee, H. Kim, S.-J. Kahng, G. Kim, Y.-W. Son, J. Ihm, H. Kato, Z. W. Wang, T. Okazaki, H. Shinohara and Y. Kuk, Nature (London) 415, 1005 (2002). [24] S. Okada, M. Otani and A. Oshiyama, Phys. Rev. B 67, (2003) 205411; S. Okada, S. Saito and A. Oshiyama, Phys. Rev. Lett. 86, 3835 (2001). [25] O. V. Boltalina, E. V. Dashikova and L. N. Sidorov, Chem. Phys. Lett. 256, 253 (1996). [26] M.-H. Du and H.-P. Cheng, Phys. Rev. B 68, 113402 (2003). [27] J. Lu, X. Zhang and Z. Zhao, Solid State Commu. 110, 565 (1999); I. N. Ioe, A. S. Levlev, O. V. Boltalina, L. N. Sidorov, H. C. Dorn, S. Stevenson and G. Rice, Inter. J. Mass Spectrometry 213, 183 (2002); K. Kobayashi, Y. Sano and S. Nagase, J. Comp. Chem. 22, 1353 (2001). [28] Y. Cho, S. Han, G. Kim, H. Lee and J. Ihm, Phys. Rev. Lett. 90, 106402 (2003). [29] R. Pati, L. Senapati, P. M. Ajayan and S. K. Nayak, J. Appl. Phys. 95, 694 (2004). [30] S.-Y. Chen and J.-T. Lue, Phys. Lett. A 114, 309 (2003). [31] J. Cioslowski, N. Rao and D. Moncrie, J. Am. Chem. Soc. 124, 8485 (2002). [32] S. Kazaoui, N. Minami, N. Matsuda, H. Kataura and Y. Achiba, Appl. Phys. Lett. 78, 3433 (2001). [33] K. Hirahara, K. Suenaga, S. Bandow, K. Kato, T. Okazaki, H. Shinohara and S. Iijima, Phys. Rev. Lett. 85, 5384 (2000). [34] Y. S. Li and D. Tomnek, Chem. Phys. Lett. 221, 453 a (1994). [35] G. Gao, T. Cagin and W. A. Goddard, Phys. Rev. Lett. 80, 5556 (1998); G. Chen, Y. Guo, N. Karasawa and W.

[36] [37] [38] [39] [40] [41] [42] [43] [44] [45] [46] [47] [48] [49] [50]