Potential for spin-based information processing in a thin-film molecular semiconductor.

Organic semiconductors are studied intensively for applications in electronics and optics, and even spin-based information technology, or spintronics. Fundamental quantities in spintronics are the population relaxation time (T1) and the phase memory time (T2): T1 measures the lifetime of a classical bit, in this case embodied by a spin oriented either parallel or antiparallel to an external magnetic field, and T2 measures the corresponding lifetime of a quantum bit, encoded in the phase of the quantum state. Here we establish that these times are surprisingly long for a common, low-cost and chemically modifiable organic semiconductor, the blue pigment copper phthalocyanine, in easily processed thin-film form of the type used for device fabrication. At 5 K, a temperature reachable using inexpensive closed-cycle refrigerators, T1 and T2 are respectively 59 ms and 2.6 µs, and at 80 K, which is just above the boiling point of liquid nitrogen, they are respectively 10 µs and 1 µs, demonstrating that the performance of thin-film copper phthalocyanine is superior to that of single-molecule magnets over the same temperature range. T2 is more than two orders of magnitude greater than the duration of the spin manipulation pulses, which suggests that copper phthalocyanine holds promise for quantum information processing, and the long T1 indicates possibilities for medium-term storage of classical bits in all-organic devices on plastic substrates.

A new type of radical-pair-based model for magnetoreception.

Certain migratory birds can sense the Earth's magnetic field. The nature of this process is not yet properly understood. Here we offer a simple explanation according to which birds literally see the local magnetic field through the impact of a physical rather than a chemical signature of the radical pair: a transient, long-lived electric dipole moment. Based on this premise, our picture can explain recent surprising experimental data indicating long lifetimes for the radical pair. Moreover, there is a clear evolutionary path toward this field-sensing mechanism: it is an enhancement of a weak effect that may be present in many species.

The swipe card model of odorant recognition.

Just how we discriminate between the different odours we encounter is not completely understood yet. While obviously a matter involving biology, the core issue isa matter for physics: what microscopic interactions enable the receptors in our noses-small protein switches­to distinguish scent molecules? We survey what is and is not known about the physical processes that take place when we smell things, highlighting the difficulties in developing a full understanding of the mechanics of odorant recognition. The main current theories, discussed here, fall into two major groups. One class emphasises the scent molecule's shape, and is described informally as a "lock and key" mechanism. But there is another category, which we focus on and which we call "swipe card" theories:the molecular shape must be good enough, but the information that identifies the smell involves other factors. One clearly-defined "swipe card" mechanism that we discuss here is Turin's theory, in which inelastic electron tunnelling is used to discern olfactant vibration frequencies. This theory is explicitly quantal, since it requires the molecular vibrations to take in or give out energy only in discrete quanta. These ideas lead to obvious experimental tests and challenges. We describe the current theory in a form that takes into account molecular shape as well as olfactant vibrations. It emerges that this theory can explain many observations hard to reconcile in other ways. There are still some important gaps in a comprehensive physics-based description of the central steps in odorant recognition. We also discuss how far these ideas carry over to analogous processes involving other small biomolecules, like hormones, steroids and neurotransmitters. We conclude with a discussion of possible quantum behaviours in biology more generally, the case of olfaction being just one example. This paper is presented in honour of Prof. Marshall Stoneham who passed away unexpectedly during its writing.

The initialization and manipulation of quantum information stored in silicon by bismuth dopants.

A prerequisite for exploiting spins for quantum data storage and processing is long spin coherence times. Phosphorus dopants in silicon (Si:P) have been favoured as hosts for such spins because of measured electron spin coherence times (T2) longer than any other electron spin in the solid state: 14 ms at 7 K with isotopically purified silicon. Heavier impurities such as bismuth in silicon (Si:Bi) could be used in conjunction with Si:P for quantum information proposals that require two separately addressable spin species. However, the question of whether the incorporation of the much less soluble Bi into Si leads to defect species that destroy coherence has not been addressed. Here we show that schemes involving Si:Bi are indeed feasible as the electron spin coherence time T2 is at least as long as for Si:P with non-isotopically purified silicon. We polarized the Si:Bi electrons and hyperpolarized the I=9/2 nuclear spin of (209)Bi, manipulating both with pulsed magnetic resonance. The larger nuclear spin means that a Si:Bi dopant provides a 20-dimensional Hilbert space rather than the four-dimensional Hilbert space of an I=1/2 Si:P dopant.

A novel route for the inclusion of metal dopants in silicon.

We report a new method for introducing metal atoms into silicon wafers, using negligible thermal budget. Molecular thin films are irradiated with ultra-violet light releasing metal species into the semiconductor substrate. Secondary ion mass spectrometry and x-ray absorption spectroscopy show that Mn is incorporated into Si as an interstitial dopant. We propose that our method can form the basis of a generic low-cost, low-temperature technology that could lead to the creation of ordered dopant arrays.

System among the corticosteroids: specificity and molecular dynamics.

Understanding how structural features determine specific biological activities has often proved elusive. With over 161,000 steroid structures described, an algorithm able to predict activity from structural attributes would provide manifest benefits. Molecular simulations of a range of 35 corticosteroids show striking correlations between conformational mobility and biological specificity. Thus steroid ring A is important for glucocorticoid action, and is rigid in the most specific (and potent) examples, such as dexamethasone. By contrast, ring C conformation is important for the mineralocorticoids, and is rigid in aldosterone. Other steroids that are less specific, or have mixed functions, or none at all, are more flexible. One unexpected example is 11-deoxycorticosterone, which the methods predict (and our activity studies confirm) is not only a specific mineralocorticoid, but also has significant glucocorticoid activity. These methods may guide the design of new corticosteroid agonists and antagonists. They will also have application in other examples of ligand-receptor interactions.

Spin-based diagnostic of nanostructure in copper phthalocyanine-C60 solar cell blends.

Nanostructure and molecular orientation play a crucial role in determining the functionality of organic thin films. In practical devices, such as organic solar cells consisting of donor-acceptor mixtures, crystallinity is poor and these qualities cannot be readily determined by conventional diffraction techniques, while common microscopy only reveals surface morphology. Using a simple nondestructive technique, namely, continuous-wave electron paramagnetic resonance spectroscopy, which exploits the well-understood angular dependence of the g-factor and hyperfine tensors, we show that in the solar cell blend of C(60) and copper phthalocyanine (CuPc)-for which X-ray diffraction gives no information-the CuPc, and by implication the C(60), molecules form nanoclusters, with the planes of the CuPc molecules oriented perpendicular to the film surface. This information demonstrates that the current nanostructure in CuPc:C(60) solar cells is far from optimal and suggests that their efficiency could be considerably increased by alternative film growth algorithms.

Could one make a diamond-based quantum computer?

We assess routes to a diamond-based quantum computer, where we specifically look towards scalable devices, with at least 10 linked quantum gates. Such a computer should satisfy the deVincenzo rules and might be used at convenient temperatures. The specific examples that we examine are based on the optical control of electron spins. For some such devices, nuclear spins give additional advantages. Since there have already been demonstrations of basic initialization and readout, our emphasis is on routes to two-qubit quantum gate operations and the linking of perhaps 10-20 such gates. We analyse the dopant properties necessary, especially centres containing N and P, and give results using simple scoping calculations for the key interactions determining gate performance. Our conclusions are cautiously optimistic: it may be possible to develop a useful quantum information processor that works above cryogenic temperatures.

Not too big, not too small: the appropriate scale.

The tools we use at the human scale, whether mechanical, medical or microelectronic, depend on materials for which some other scale of length or time is critical. Often this is the mesoscale, between the scales of engineering and of atomic science. Linking underlying processes to what we handle is sometimes called 'spanning' (or 'bridging') length scales, giving the impression that the mesoscale is a swamp to be crossed without getting mud on our boots. This is misleading: we do not wish to span the mesoscale, but to work at the appropriate scale, and to connect that to our human needs. The appropriate scale need not rule out multiscale computer modelling, in which some supercode integrates relevant scales in one pass, hoping to combine the best of methods for two or more levels. But the reality for such attempts, too often, is that the worst of both regimes are found. Happily, simpler strategies at a judicious scale will often suffice.